 Entering Gaussian System, Link 0=g16
 Input=11_L-cysteine_conformer07_STD_wB97XD_augccpVDZ.in
 Output=11_L-cysteine_conformer07_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-106683.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    106693.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=11_L-cysteine_conformer07_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:05:45 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "11_L-cysteine_conformer07_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.841982000000     -0.630213000000      0.360459000000
  S                                                 2.547171000000     -0.192191000000     -0.109995000000
  C                                                -0.225879000000      0.229919000000     -0.309856000000
  N                                                -0.226558000000      1.646777000000      0.057723000000
  C                                                -1.625290000000     -0.371631000000     -0.067003000000
  O                                                -1.831566000000     -1.553063000000     -0.022962000000
  O                                                -2.593125000000      0.543639000000      0.052246000000
  H                                                -0.077154000000      0.178374000000     -1.391781000000
  H                                                 0.739207000000     -0.597147000000      1.446150000000
  H                                                 0.710059000000     -1.667028000000      0.057631000000
  H                                                -2.140525000000      1.414460000000      0.004453000000
  H                                                 0.443329000000      2.173429000000     -0.486604000000
  H                                                -0.005119000000      1.777267000000      1.039014000000
  H                                                 2.614024000000      0.975209000000      0.551137000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          32          12          14          12          16          16           1           1           1
 AtmWgt=  12.0000000  31.9720718  12.0000000  14.0030740  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           2           0           0           0           1           1           1
 AtZEff=   3.6000000  13.6000000   3.6000000   4.5500000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000  16.0000000   6.0000000   7.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:05:45 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.841982   -0.630213    0.360459
      2         16           0        2.547171   -0.192191   -0.109995
      3          6           0       -0.225879    0.229919   -0.309856
      4          7           0       -0.226558    1.646777    0.057723
      5          6           0       -1.625290   -0.371631   -0.067003
      6          8           0       -1.831566   -1.553063   -0.022962
      7          8           0       -2.593125    0.543639    0.052246
      8          1           0       -0.077154    0.178374   -1.391781
      9          1           0        0.739207   -0.597147    1.446150
     10          1           0        0.710059   -1.667028    0.057631
     11          1           0       -2.140525    1.414460    0.004453
     12          1           0        0.443329    2.173429   -0.486604
     13          1           0       -0.005119    1.777267    1.039014
     14          1           0        2.614024    0.975209    0.551137
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  S    1.822323   0.000000
     3  C    1.526262   2.812104   0.000000
     4  N    2.533399   3.332192   1.463763   0.000000
     5  C    2.517344   4.176539   1.542463   2.458857   0.000000
     6  O    2.854211   4.586162   2.416519   3.580717   1.200113
     7  O    3.643197   5.195230   2.415242   2.611050   1.337402
     8  H    2.137515   2.944041   1.093315   2.068717   2.110514
     9  H    1.091046   2.419568   2.167715   2.809916   2.816263
    10  H    1.088161   2.361826   2.146959   3.443625   2.673470
    11  H    3.633562   4.956705   2.273279   1.928751   1.860294
    12  H    2.955816   3.188125   2.063083   1.011139   3.306445
    13  H    2.640829   3.422451   2.064575   1.014394   2.909637
    14  H    2.398723   1.343275   3.059708   2.960298   4.490864
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.231992   0.000000
     8  H    2.819486   2.923823   0.000000
     9  H    3.111421   3.787981   3.053151   0.000000
    10  H    2.545455   3.974683   2.475077   1.753134   0.000000
    11  H    2.983689   0.982578   2.781165   3.797092   4.198122
    12  H    4.390541   3.488069   2.251775   3.391043   3.887987
    13  H    3.943957   3.032050   2.910397   2.521433   3.652090
    14  H    5.146360   5.248766   3.413549   2.605435   3.293941
                   11         12         13         14
    11  H    0.000000
    12  H    2.737421   0.000000
    13  H    2.400397   1.638768   0.000000
    14  H    4.805990   2.687853   2.782307   0.000000
 Stoichiometry    C3H7NO2S
 Framework group  C1[X(C3H7NO2S)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.841982   -0.630213    0.360459
      2         16           0        2.547171   -0.192191   -0.109995
      3          6           0       -0.225879    0.229919   -0.309856
      4          7           0       -0.226558    1.646777    0.057723
      5          6           0       -1.625290   -0.371631   -0.067003
      6          8           0       -1.831566   -1.553063   -0.022962
      7          8           0       -2.593125    0.543638    0.052246
      8          1           0       -0.077154    0.178374   -1.391781
      9          1           0        0.739207   -0.597147    1.446150
     10          1           0        0.710059   -1.667028    0.057631
     11          1           0       -2.140525    1.414460    0.004453
     12          1           0        0.443329    2.173429   -0.486604
     13          1           0       -0.005119    1.777267    1.039014
     14          1           0        2.614024    0.975209    0.551137
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.4961684           1.1702730           0.9600507
 Leave Link  202 at Thu Aug 12 22:05:45 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      3      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  2.4763500000D-04
     Exponent=  1.6610000000D+04 Coefficients=  1.9202600000D-03
     Exponent=  3.7810000000D+03 Coefficients=  9.9619200000D-03
     Exponent=  1.0710000000D+03 Coefficients=  4.0297500000D-02
     Exponent=  3.4980000000D+02 Coefficients=  1.2860400000D-01
     Exponent=  1.2630000000D+02 Coefficients=  3.0348000000D-01
     Exponent=  4.9260000000D+01 Coefficients=  4.2143200000D-01
     Exponent=  2.0160000000D+01 Coefficients=  2.3078100000D-01
     Exponent=  5.7200000000D+00 Coefficients=  1.7897100000D-02
     Exponent=  2.1820000000D+00 Coefficients= -2.9751600000D-03
     Exponent=  4.3270000000D-01 Coefficients=  8.4952200000D-04
     Exponent=  1.5700000000D-01 Coefficients= -3.6793600000D-04
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients= -6.8703900000D-05
     Exponent=  1.6610000000D+04 Coefficients= -5.2768100000D-04
     Exponent=  3.7810000000D+03 Coefficients= -2.7967100000D-03
     Exponent=  1.0710000000D+03 Coefficients= -1.1265100000D-02
     Exponent=  3.4980000000D+02 Coefficients= -3.8883400000D-02
     Exponent=  1.2630000000D+02 Coefficients= -9.9502500000D-02
     Exponent=  4.9260000000D+01 Coefficients= -1.9974000000D-01
     Exponent=  2.0160000000D+01 Coefficients= -1.2336000000D-01
     Exponent=  5.7200000000D+00 Coefficients=  5.1319400000D-01
     Exponent=  2.1820000000D+00 Coefficients=  6.0712000000D-01
     Exponent=  4.3270000000D-01 Coefficients=  3.9675300000D-02
     Exponent=  1.5700000000D-01 Coefficients= -9.4686400000D-03
 S 12 1.00
     Exponent=  1.1080000000D+05 Coefficients=  1.9907700000D-05
     Exponent=  1.6610000000D+04 Coefficients=  1.5348300000D-04
     Exponent=  3.7810000000D+03 Coefficients=  8.0950300000D-04
     Exponent=  1.0710000000D+03 Coefficients=  3.2897400000D-03
     Exponent=  3.4980000000D+02 Coefficients=  1.1296700000D-02
     Exponent=  1.2630000000D+02 Coefficients=  2.9638500000D-02
     Exponent=  4.9260000000D+01 Coefficients=  5.9985100000D-02
     Exponent=  2.0160000000D+01 Coefficients=  4.1324800000D-02
     Exponent=  5.7200000000D+00 Coefficients= -2.0747400000D-01
     Exponent=  2.1820000000D+00 Coefficients= -3.9288900000D-01
     Exponent=  4.3270000000D-01 Coefficients=  6.3284000000D-01
     Exponent=  1.5700000000D-01 Coefficients=  5.5692400000D-01
 S 1 1.00
     Exponent=  1.5700000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0700000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients=  4.4754100000D-03
     Exponent=  9.4190000000D+01 Coefficients=  3.4170800000D-02
     Exponent=  2.9750000000D+01 Coefficients=  1.4425000000D-01
     Exponent=  1.0770000000D+01 Coefficients=  3.5392800000D-01
     Exponent=  4.1190000000D+00 Coefficients=  4.5908500000D-01
     Exponent=  1.6250000000D+00 Coefficients=  2.0638300000D-01
     Exponent=  4.7260000000D-01 Coefficients=  1.0214100000D-02
     Exponent=  1.4070000000D-01 Coefficients= -6.0312200000D-05
 P 8 1.00
     Exponent=  3.9970000000D+02 Coefficients= -1.1625100000D-03
     Exponent=  9.4190000000D+01 Coefficients= -8.6566400000D-03
     Exponent=  2.9750000000D+01 Coefficients= -3.9088600000D-02
     Exponent=  1.0770000000D+01 Coefficients= -9.3462500000D-02
     Exponent=  4.1190000000D+00 Coefficients= -1.4799400000D-01
     Exponent=  1.6250000000D+00 Coefficients=  3.0190400000D-02
     Exponent=  4.7260000000D-01 Coefficients=  5.6157300000D-01
     Exponent=  1.4070000000D-01 Coefficients=  5.3477600000D-01
 P 1 1.00
     Exponent=  1.4070000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9900000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.7900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 282 were deleted.
 There are   242 symmetry adapted cartesian basis functions of A   symmetry.
 There are   228 symmetry adapted basis functions of A   symmetry.
   228 basis functions,   447 primitive gaussians,   242 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       374.2750386855 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0071554585 Hartrees.
 Nuclear repulsion after empirical dispersion term =      374.2678832270 Hartrees.
 Leave Link  301 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:              10.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   228 RedAO= T EigKep=  1.66D-05  NBF=   228
 NBsUse=   228 1.00D-06 EigRej= -1.00D+00 NBFU=   228
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   242   242   242   242   242 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:05:47 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "11_L-cysteine_conformer07_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:05:48 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368587670 LenY=  5368528665
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -721.886781142995    
 DIIS: error= 6.35D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -721.886781142995     IErMin= 1 ErrMin= 6.35D-03
 ErrMax= 6.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.43D-03 BMatP= 7.43D-03
 IDIUse=3 WtCom= 9.37D-01 WtEn= 6.35D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 GapD=    0.390 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.04D-03 MaxDP=2.01D-01              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.02D-03    CP:  9.85D-01
 E= -721.892220607059     Delta-E=       -0.005439464064 Rises=F Damp=F
 DIIS: error= 3.50D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -721.892220607059     IErMin= 2 ErrMin= 3.50D-04
 ErrMax= 3.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-04 BMatP= 7.43D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.50D-03
 Coeff-Com: -0.272D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.271D-01 0.103D+01
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=9.16D-04 MaxDP=3.56D-02 DE=-5.44D-03 OVMax= 5.77D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.85D-04    CP:  9.82D-01  1.13D+00
 E= -721.892392269752     Delta-E=       -0.000171662693 Rises=F Damp=F
 DIIS: error= 3.57D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -721.892392269752     IErMin= 2 ErrMin= 3.50D-04
 ErrMax= 3.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-04 BMatP= 1.45D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.57D-03
 Coeff-Com: -0.327D-01 0.470D+00 0.563D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.326D-01 0.468D+00 0.564D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.20D-04 MaxDP=5.10D-03 DE=-1.72D-04 OVMax= 1.82D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.64D-05    CP:  9.82D-01  1.14D+00  1.12D+00
 E= -721.892465430961     Delta-E=       -0.000073161209 Rises=F Damp=F
 DIIS: error= 8.28D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -721.892465430961     IErMin= 4 ErrMin= 8.28D-05
 ErrMax= 8.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-06 BMatP= 1.01D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.461D-02-0.177D-01 0.145D+00 0.877D+00
 Coeff:     -0.461D-02-0.177D-01 0.145D+00 0.877D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=8.36D-05 MaxDP=5.53D-03 DE=-7.32D-05 OVMax= 8.33D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.51D-05    CP:  9.81D-01  1.15D+00  1.26D+00  1.16D+00
 E= -721.892471122937     Delta-E=       -0.000005691976 Rises=F Damp=F
 DIIS: error= 3.38D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -721.892471122937     IErMin= 5 ErrMin= 3.38D-05
 ErrMax= 3.38D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.67D-07 BMatP= 4.94D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-02-0.508D-01 0.626D-02 0.378D+00 0.665D+00
 Coeff:      0.120D-02-0.508D-01 0.626D-02 0.378D+00 0.665D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=2.08D-05 MaxDP=1.39D-03 DE=-5.69D-06 OVMax= 3.55D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.22D-05    CP:  9.81D-01  1.15D+00  1.29D+00  1.25D+00  1.15D+00
 E= -721.892472167650     Delta-E=       -0.000001044714 Rises=F Damp=F
 DIIS: error= 9.72D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -721.892472167650     IErMin= 6 ErrMin= 9.72D-06
 ErrMax= 9.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-07 BMatP= 9.67D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.949D-03-0.188D-01-0.125D-01 0.630D-01 0.279D+00 0.688D+00
 Coeff:      0.949D-03-0.188D-01-0.125D-01 0.630D-01 0.279D+00 0.688D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=6.71D-06 MaxDP=3.88D-04 DE=-1.04D-06 OVMax= 1.30D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.95D-06    CP:  9.81D-01  1.15D+00  1.29D+00  1.28D+00  1.26D+00
                    CP:  1.19D+00
 E= -721.892472273787     Delta-E=       -0.000000106136 Rises=F Damp=F
 DIIS: error= 4.40D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -721.892472273787     IErMin= 7 ErrMin= 4.40D-06
 ErrMax= 4.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-08 BMatP= 1.06D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.175D-03 0.106D-02-0.659D-02-0.427D-01 0.985D-02 0.317D+00
 Coeff-Com:  0.721D+00
 Coeff:      0.175D-03 0.106D-02-0.659D-02-0.427D-01 0.985D-02 0.317D+00
 Coeff:      0.721D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=3.25D-06 MaxDP=1.83D-04 DE=-1.06D-07 OVMax= 6.14D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.33D-06    CP:  9.81D-01  1.15D+00  1.29D+00  1.29D+00  1.32D+00
                    CP:  1.30D+00  1.14D+00
 E= -721.892472295772     Delta-E=       -0.000000021985 Rises=F Damp=F
 DIIS: error= 1.24D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -721.892472295772     IErMin= 8 ErrMin= 1.24D-06
 ErrMax= 1.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-09 BMatP= 1.87D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.352D-04 0.233D-02-0.845D-03-0.213D-01-0.254D-01 0.282D-01
 Coeff-Com:  0.247D+00 0.770D+00
 Coeff:     -0.352D-04 0.233D-02-0.845D-03-0.213D-01-0.254D-01 0.282D-01
 Coeff:      0.247D+00 0.770D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.14D-06 MaxDP=6.27D-05 DE=-2.20D-08 OVMax= 2.30D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.16D-07    CP:  9.81D-01  1.15D+00  1.29D+00  1.29D+00  1.33D+00
                    CP:  1.34D+00  1.24D+00  1.22D+00
 E= -721.892472297806     Delta-E=       -0.000000002035 Rises=F Damp=F
 DIIS: error= 3.71D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -721.892472297806     IErMin= 9 ErrMin= 3.71D-07
 ErrMax= 3.71D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-10 BMatP= 1.38D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.268D-04 0.566D-03 0.432D-03-0.204D-02-0.861D-02-0.257D-01
 Coeff-Com:  0.287D-02 0.220D+00 0.813D+00
 Coeff:     -0.268D-04 0.566D-03 0.432D-03-0.204D-02-0.861D-02-0.257D-01
 Coeff:      0.287D-02 0.220D+00 0.813D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=3.89D-07 MaxDP=1.89D-05 DE=-2.03D-09 OVMax= 9.77D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.34D-07    CP:  9.81D-01  1.15D+00  1.29D+00  1.29D+00  1.33D+00
                    CP:  1.35D+00  1.29D+00  1.35D+00  1.16D+00
 E= -721.892472298007     Delta-E=       -0.000000000201 Rises=F Damp=F
 DIIS: error= 1.53D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -721.892472298007     IErMin=10 ErrMin= 1.53D-07
 ErrMax= 1.53D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-11 BMatP= 1.14D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.257D-05-0.140D-03 0.200D-03 0.208D-02 0.118D-02-0.966D-02
 Coeff-Com: -0.269D-01-0.454D-01 0.183D+00 0.896D+00
 Coeff:     -0.257D-05-0.140D-03 0.200D-03 0.208D-02 0.118D-02-0.966D-02
 Coeff:     -0.269D-01-0.454D-01 0.183D+00 0.896D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.41D-07 MaxDP=9.72D-06 DE=-2.01D-10 OVMax= 4.08D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.70D-08    CP:  9.81D-01  1.15D+00  1.29D+00  1.29D+00  1.33D+00
                    CP:  1.36D+00  1.30D+00  1.40D+00  1.30D+00  1.21D+00
 E= -721.892472298056     Delta-E=       -0.000000000048 Rises=F Damp=F
 DIIS: error= 3.44D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -721.892472298056     IErMin=11 ErrMin= 3.44D-08
 ErrMax= 3.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.05D-13 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-05-0.701D-04-0.179D-04 0.487D-03 0.106D-02 0.733D-03
 Coeff-Com: -0.405D-02-0.264D-01-0.485D-01 0.120D+00 0.957D+00
 Coeff:      0.197D-05-0.701D-04-0.179D-04 0.487D-03 0.106D-02 0.733D-03
 Coeff:     -0.405D-02-0.264D-01-0.485D-01 0.120D+00 0.957D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=3.26D-08 MaxDP=2.27D-06 DE=-4.84D-11 OVMax= 1.56D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.38D-08    CP:  9.81D-01  1.15D+00  1.29D+00  1.29D+00  1.33D+00
                    CP:  1.35D+00  1.30D+00  1.40D+00  1.33D+00  1.33D+00
                    CP:  1.21D+00
 E= -721.892472298049     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 1.18D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -721.892472298056     IErMin=12 ErrMin= 1.18D-08
 ErrMax= 1.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-13 BMatP= 9.05D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.871D-06-0.670D-06-0.318D-04-0.149D-03 0.132D-03 0.135D-02
 Coeff-Com:  0.232D-02-0.332D-03-0.318D-01-0.761D-01 0.195D+00 0.909D+00
 Coeff:      0.871D-06-0.670D-06-0.318D-04-0.149D-03 0.132D-03 0.135D-02
 Coeff:      0.232D-02-0.332D-03-0.318D-01-0.761D-01 0.195D+00 0.909D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=9.03D-09 MaxDP=3.02D-07 DE= 6.59D-12 OVMax= 5.67D-07

 SCF Done:  E(RwB97XD) =  -721.892472298     A.U. after   12 cycles
            NFock= 12  Conv=0.90D-08     -V/T= 2.0040
 KE= 7.190097226657D+02 PE=-2.452441612602D+03 EE= 6.372715344117D+02
 Leave Link  502 at Thu Aug 12 22:06:38 2021, MaxMem=  5368709120 cpu:             399.7 elap:              50.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   228
 NBasis=   228 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    228 NOA=    32 NOB=    32 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.57425204D+02

 Leave Link  801 at Thu Aug 12 22:06:38 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4320 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.05D-13 8.33D-09 XBig12= 1.00D+00 1.94D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.05D-13 8.33D-09 XBig12= 1.99D-01 6.80D-02.
     11 vectors produced by pass  2 Test12= 1.05D-13 8.33D-09 XBig12= 3.14D-02 2.75D-02.
     11 vectors produced by pass  3 Test12= 1.05D-13 8.33D-09 XBig12= 3.19D-03 1.22D-02.
     11 vectors produced by pass  4 Test12= 1.05D-13 8.33D-09 XBig12= 2.48D-04 4.06D-03.
     11 vectors produced by pass  5 Test12= 1.05D-13 8.33D-09 XBig12= 7.21D-06 5.27D-04.
     11 vectors produced by pass  6 Test12= 1.05D-13 8.33D-09 XBig12= 2.13D-07 7.66D-05.
     11 vectors produced by pass  7 Test12= 1.05D-13 8.33D-09 XBig12= 4.56D-09 9.09D-06.
     11 vectors produced by pass  8 Test12= 1.05D-13 8.33D-09 XBig12= 8.27D-11 9.90D-07.
      9 vectors produced by pass  9 Test12= 1.05D-13 8.33D-09 XBig12= 1.12D-12 1.17D-07.
      4 vectors produced by pass 10 Test12= 1.05D-13 8.33D-09 XBig12= 1.57D-14 1.63D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.915790D+02
      2  0.601521D+00  0.773676D+02
      3 -0.723666D+00 -0.700035D+00  0.606041D+02
 Isotropic polarizability for W=    0.088559       76.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.877373D+02 -0.486995D+01 -0.122768D+01
      2  -0.531216D+02  0.699351D+01  0.175049D+01
      3  -0.346157D+02 -0.212356D+01 -0.522801D+00
      4   0.584456D+01  0.127105D+02 -0.153066D+01
      5   0.343237D+01 -0.358634D+01  0.619355D+02
      6   0.115387D+01  0.534735D+01  0.112565D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.238724D+01 -0.321835D+01 -0.270707D+01
      2   0.250115D+01 -0.102422D+01  0.329630D+02
      3  -0.107670D+01 -0.135129D+02  0.347612D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.205568D+01  0.359687D+01 -0.133800D+02
      2  -0.466005D+01 -0.268453D+01  0.965512D+02
      3   0.107145D+02 -0.658320D+02  0.474021D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.712028D+00  0.464041D-01  0.612751D+00
      2   0.464041D-01 -0.126693D+00 -0.102264D+01
      3   0.612751D+00 -0.102264D+01 -0.520680D+00
 OR G Eigenvalues:    -1.4830     0.4245     1.1231  Iso=    -0.0216
 Eigenvectors:
   (1)  -0.228444   0.591084   0.773585
   (2)   0.627520   0.696908  -0.347186
   (3)   0.744333  -0.406127   0.530121
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0216 au.
 Molar Mass =    121.1538 grams/mole, [Alpha] ( 5145.0 A) =       -9.02 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   26106 ScalPx= 7.15D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.02D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.74D-14 2.78D-09 XBig12= 1.00D+00 3.81D-01.
     30 vectors produced by pass  1 Test12= 1.74D-14 2.78D-09 XBig12= 3.42D-02 3.37D-02.
     30 vectors produced by pass  2 Test12= 1.74D-14 2.78D-09 XBig12= 7.31D-04 3.43D-03.
     30 vectors produced by pass  3 Test12= 1.74D-14 2.78D-09 XBig12= 9.85D-06 3.90D-04.
     30 vectors produced by pass  4 Test12= 1.74D-14 2.78D-09 XBig12= 9.85D-08 4.85D-05.
     30 vectors produced by pass  5 Test12= 1.74D-14 2.78D-09 XBig12= 9.14D-10 4.48D-06.
     30 vectors produced by pass  6 Test12= 1.74D-14 2.78D-09 XBig12= 6.48D-12 3.31D-07.
     30 vectors produced by pass  7 Test12= 1.74D-14 2.78D-09 XBig12= 4.08D-14 2.47D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 3.32D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   26106 ScalPx= 3.32D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   26106 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.61D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.915790D+02  0.601521D+00 -0.723666D+00
      2   0.601521D+00  0.773676D+02 -0.700035D+00
      3  -0.723666D+00 -0.700035D+00  0.606041D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.238724D+01 -0.321835D+01 -0.270707D+01
      2   0.250115D+01 -0.102422D+01  0.329630D+02
      3  -0.107670D+01 -0.135129D+02  0.347612D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.877373D+02 -0.486995D+01 -0.122768D+01
      2  -0.531216D+02  0.699351D+01  0.175049D+01
      3  -0.346157D+02 -0.212356D+01 -0.522801D+00
      4   0.584456D+01  0.127105D+02 -0.153066D+01
      5   0.343237D+01 -0.358634D+01  0.619355D+02
      6   0.115387D+01  0.534735D+01  0.112565D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.808797D+01 -0.254854D+01  0.165235D+01 -0.386249D+01  0.104836D+01
      2  -0.254854D+01  0.466905D+00  0.477306D+00  0.104836D+01  0.321041D+01
      3   0.165235D+01  0.477306D+00 -0.702057D+00 -0.123070D+00  0.123303D+01
                 6             7             8             9            10 
      1  -0.123070D+00  0.361704D+01 -0.501172D+00  0.162931D+01  0.164539D+02
      2   0.123303D+01 -0.501172D+00  0.143219D+01  0.746289D+00  0.376124D+00
      3  -0.331430D+00  0.162931D+01  0.746289D+00 -0.602546D+01 -0.215566D+01
                11            12            13            14            15 
      1   0.376124D+00 -0.215566D+01 -0.248717D+00  0.232933D+01 -0.176727D+00
      2   0.935204D+00 -0.657266D+00  0.232933D+01 -0.525265D+01 -0.330681D+01
      3  -0.657266D+00  0.246869D+01 -0.176727D+00 -0.330681D+01 -0.234633D+01
                16            17            18            19            20 
      1  -0.394401D+01 -0.432911D-01  0.377092D+01  0.323330D+01  0.277417D+01
      2  -0.432911D-01 -0.357765D+01 -0.161447D+01  0.277417D+01 -0.102108D+01
      3   0.377092D+01 -0.161447D+01 -0.180507D+01 -0.884222D-01  0.509415D+00
                21            22            23            24            25 
      1  -0.884222D-01  0.497670D+01  0.150703D+00 -0.881586D-01 -0.197258D+01
      2   0.509415D+00  0.150703D+00 -0.243844D+01 -0.807120D+00  0.121067D+01
      3  -0.808660D+00 -0.881586D-01 -0.807120D+00  0.830106D+00 -0.703039D+00
                26            27            28            29            30 
      1   0.121067D+01 -0.703039D+00 -0.206109D+01 -0.161985D+01  0.104133D+01
      2  -0.112103D+01  0.246267D+00 -0.161985D+01 -0.221687D+01  0.802134D-01
      3   0.246267D+00  0.561012D+01  0.104133D+01  0.802134D-01 -0.139281D+01
                31            32            33            34            35 
      1  -0.172437D+01 -0.243624D+01  0.417868D+00  0.163626D+01  0.130081D+00
      2  -0.243624D+01  0.408290D+01  0.618506D+00  0.130081D+00  0.644382D+00
      3   0.417868D+00  0.618506D+00 -0.107378D+01 -0.159456D+01 -0.104066D+01
                36            37            38            39            40 
      1  -0.159456D+01 -0.422560D+01 -0.223242D+01 -0.233927D+00 -0.217470D+01
      2  -0.104066D+01 -0.223242D+01  0.988169D+00  0.350210D-01  0.264866D+01
      3  -0.384193D+01 -0.233927D+00  0.350210D-01 -0.492107D+00 -0.971159D-01
                41            42            43            44            45 
      1   0.264866D+01 -0.971159D-01  0.339726D+00 -0.140410D+00 -0.247702D+00
      2   0.640155D+01 -0.449733D-01 -0.140410D+00  0.485327D+00  0.294519D+00
      3  -0.449733D-01  0.399101D+00 -0.247702D+00  0.294519D+00 -0.225242D+00
                46            47            48            49            50 
      1  -0.173619D+01 -0.317444D+01  0.756575D-01 -0.412884D+01 -0.314155D+01
      2  -0.317444D+01 -0.247179D+01 -0.164655D+00 -0.314155D+01 -0.131365D+02
      3   0.756575D-01 -0.164655D+00 -0.106357D+00  0.830299D-02  0.449895D-01
                51            52            53            54            55 
      1   0.830299D-02 -0.109261D+00  0.270577D-01 -0.109681D+01 -0.877075D+01
      2   0.449895D-01  0.270577D-01  0.148642D+00 -0.313753D+01  0.181797D+01
      3  -0.238357D+01 -0.109681D+01 -0.313753D+01  0.218729D+00  0.244228D+00
                56            57            58            59            60 
      1   0.181797D+01  0.244228D+00 -0.144957D+01 -0.390294D+01 -0.119582D+00
      2  -0.223041D+01 -0.230246D+00 -0.390294D+01 -0.136038D+01  0.162016D+00
      3  -0.230246D+00 -0.855609D+00 -0.119582D+00  0.162016D+00  0.467282D+00
                61            62            63            64            65 
      1   0.115788D+01 -0.273463D-02 -0.192407D+01  0.438227D+00 -0.526810D+00
      2  -0.273463D-02  0.742226D-01  0.109622D+01 -0.526810D+00  0.330257D+00
      3  -0.192407D+01  0.109622D+01  0.433637D+00 -0.908930D+00 -0.597112D-01
                66            67            68            69            70 
      1  -0.908930D+00 -0.113710D+01  0.998438D-01  0.837908D-01 -0.187991D+01
      2  -0.597112D-01  0.998438D-01  0.478084D+00 -0.946152D+00 -0.181299D+00
      3   0.886590D+00  0.837908D-01 -0.946152D+00 -0.319144D+00  0.164423D+00
                71            72            73            74            75 
      1  -0.181299D+00  0.164423D+00  0.405203D-01  0.125762D+00  0.879712D+00
      2  -0.135438D+01 -0.365937D-01  0.125762D+00 -0.762522D-01 -0.516961D-01
      3  -0.365937D-01 -0.722218D+01  0.879712D+00 -0.516961D-01 -0.564221D+00
                76            77            78            79            80 
      1   0.962019D+00 -0.278596D+00 -0.135904D+00  0.278046D+01  0.185050D+00
      2  -0.278596D+00 -0.619814D+00  0.825478D+00  0.185050D+00  0.117410D+01
      3  -0.135904D+00  0.825478D+00  0.282250D+00 -0.163907D+01 -0.124502D+01
                81            82            83            84            85 
      1  -0.163907D+01 -0.243310D+00 -0.582014D+00 -0.542478D+00 -0.190704D+01
      2  -0.124502D+01 -0.582014D+00 -0.645906D-01 -0.323198D-01 -0.648439D+00
      3   0.753780D+01 -0.542478D+00 -0.323198D-01 -0.317909D-01 -0.112557D+00
                86            87            88            89            90 
      1  -0.648439D+00 -0.112557D+00 -0.172641D+01 -0.222531D+00 -0.270508D+00
      2  -0.746823D+01 -0.618347D+00 -0.222531D+00 -0.140678D+01 -0.110339D+01
      3  -0.618347D+00 -0.103596D+01 -0.270508D+00 -0.110339D+01 -0.133387D+00
                91            92            93            94            95 
      1   0.198077D+01  0.209868D+01 -0.774014D-01  0.496055D+01  0.117491D+00
      2   0.209868D+01  0.506545D+00  0.137132D+00  0.117491D+00  0.486965D+01
      3  -0.774014D-01  0.137132D+00 -0.422397D+00  0.159518D-01  0.374491D-01
                96            97            98            99           100 
      1   0.159518D-01 -0.295345D+00 -0.605364D-01 -0.646192D+00  0.250462D+01
      2   0.374491D-01 -0.605364D-01 -0.164040D+00  0.584309D+00  0.177429D+01
      3   0.861360D+00 -0.646192D+00  0.584309D+00 -0.326834D-01 -0.872010D+00
               101           102           103           104           105 
      1   0.177429D+01 -0.872010D+00  0.259441D+01  0.210241D+01 -0.735849D+00
      2   0.313966D+01 -0.843394D+00  0.210241D+01  0.347919D+01 -0.883762D+00
      3  -0.843394D+00  0.111322D+01 -0.735849D+00 -0.883762D+00  0.113269D+01
               106           107           108           109           110 
      1  -0.231230D+01 -0.101369D+01  0.951640D+00 -0.275386D+00  0.554712D+00
      2  -0.101369D+01 -0.205310D+01  0.138969D+01  0.554712D+00  0.374783D+00
      3   0.951640D+00  0.138969D+01 -0.146310D+01  0.388442D+00  0.600357D+00
               111           112           113           114           115 
      1   0.388442D+00  0.612994D+00  0.201531D+00  0.395023D+00  0.159214D+01
      2   0.600357D+00  0.201531D+00  0.133824D+01  0.806765D+00  0.228081D+00
      3   0.547206D+00  0.395023D+00  0.806765D+00  0.100278D+01  0.977050D+00
               116           117           118           119           120 
      1   0.228081D+00  0.977050D+00  0.748923D+00  0.116236D+01  0.597098D+00
      2   0.235977D+01  0.200686D+01  0.116236D+01  0.133948D+01  0.199843D+00
      3   0.200686D+01  0.586078D+01  0.597098D+00  0.199843D+00  0.360296D+00
               121           122           123           124           125 
      1   0.252614D+01  0.170944D+01  0.668028D+00  0.111630D+01  0.384728D+00
      2   0.170944D+01  0.641602D+01  0.287893D+01  0.384728D+00  0.335833D+01
      3   0.668028D+00  0.287893D+01  0.251465D+01  0.628607D+00  0.181350D+01
               126 
      1   0.628607D+00
      2   0.181350D+01
      3   0.108797D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.161133D+01 -0.161187D+01  0.881655D+00 -0.879015D+00  0.580533D+01
      2   0.429866D+01  0.177172D+01 -0.268173D+01 -0.226527D+00  0.109889D+01
      3   0.487331D+01  0.273394D+01 -0.293148D+01  0.121131D+02 -0.372452D+01
                 6             7             8             9            10 
      1  -0.227427D+01  0.268800D+01  0.317795D+01 -0.469981D+01 -0.796011D-01
      2  -0.183095D+01 -0.995178D+01 -0.263864D+00 -0.221306D+01 -0.940424D+01
      3  -0.227763D+01 -0.171602D+01 -0.101259D+01 -0.134359D+01 -0.906228D+01
                11            12            13            14            15 
      1   0.204853D+01  0.930215D+00  0.234260D+01 -0.105172D+01 -0.572023D+01
      2  -0.194237D+01  0.124167D+02  0.363492D+00 -0.998937D+01 -0.780963D+01
      3  -0.811604D+01  0.263306D+01  0.913485D+01  0.163895D+02  0.996734D+01
                16            17            18            19            20 
      1   0.336601D+01  0.961867D+01  0.475652D+00 -0.216849D+01  0.749927D+00
      2  -0.561757D+01 -0.475472D+01 -0.384923D+01  0.357611D+01 -0.120946D+01
      3  -0.194432D+01  0.108491D+02  0.252158D+01  0.488844D+01 -0.654738D+01
                21            22            23            24            25 
      1  -0.852552D+00  0.114256D+01  0.191797D+00 -0.233153D+00 -0.219317D+01
      2   0.333329D+01  0.134682D+01 -0.276534D+01  0.350875D+01 -0.278831D+01
      3   0.627777D+00 -0.303490D+01 -0.297023D+01  0.510083D+00  0.111680D+01
                26            27            28            29            30 
      1   0.410524D+01 -0.165999D+00 -0.305533D+01 -0.842741D+00  0.465055D+01
      2   0.329105D+00 -0.441473D+01 -0.178066D+01  0.201808D+01  0.533126D+01
      3   0.169218D+01 -0.118357D+00 -0.698208D+01 -0.115745D+02  0.156628D+01
                31            32            33            34            35 
      1  -0.234731D+01 -0.327178D+01 -0.226512D+01  0.457027D+01  0.673341D+01
      2   0.318054D+00  0.110674D+01 -0.133559D+01 -0.171991D+01 -0.335327D+00
      3   0.462930D+00  0.706987D-01  0.982260D+00  0.492186D+01  0.198935D+00
                36            37            38            39            40 
      1   0.811988D+01  0.132811D+01  0.746570D+00  0.498439D-01  0.172638D+01
      2   0.337641D+01 -0.387639D+01  0.128916D+00 -0.632838D+01 -0.143704D+01
      3  -0.450202D+01 -0.691952D+01  0.140782D+01 -0.272839D+00  0.206783D+01
                41            42            43            44            45 
      1   0.286314D+00  0.925586D+01  0.353798D+00  0.958564D+01 -0.321832D+00
      2   0.179472D+01 -0.249283D+01 -0.188520D+02 -0.217978D+01  0.353135D+01
      3   0.123264D+02 -0.143844D+01  0.326819D+01 -0.177712D+01  0.129290D+01
                46            47            48            49            50 
      1   0.100911D+00  0.547756D-02 -0.258534D+01 -0.692021D-01  0.923619D+00
      2  -0.132162D+00 -0.955166D-02  0.536664D+01 -0.985701D+00 -0.108885D+01
      3  -0.154319D+01 -0.636176D+01 -0.202558D-01  0.955818D+01 -0.230769D+02
                51            52            53            54            55 
      1  -0.109970D+02 -0.608084D+00  0.721878D+00  0.548143D+00 -0.911127D+00
      2   0.563401D+01  0.327667D+01  0.586562D+01 -0.114120D+01 -0.269552D+00
      3   0.645816D+00 -0.193447D+01  0.519393D+00 -0.557212D+01 -0.413779D+01
                56            57            58            59            60 
      1  -0.265251D+00  0.270289D+01  0.175710D+00 -0.283643D+00 -0.362706D+01
      2  -0.202270D+00  0.954280D+01  0.113517D+01 -0.130740D+00 -0.164287D+01
      3  -0.171086D+02  0.185274D+00 -0.137985D+02 -0.953803D+01 -0.151755D+00
                61            62            63            64            65 
      1   0.365508D+00  0.203754D+01 -0.328553D+00  0.452299D+00 -0.820807D+00
      2   0.646408D+01 -0.104712D+01 -0.211068D+01  0.199263D+01 -0.212447D+00
      3  -0.494164D+00  0.190743D+01  0.206760D+01  0.410603D+00 -0.299379D+00
                66            67            68            69            70 
      1   0.146582D+00 -0.469740D+00 -0.430851D+00 -0.392223D+00  0.240088D+00
      2   0.180008D+00 -0.289722D+00  0.633367D+00 -0.178768D+00 -0.298238D+01
      3  -0.159946D+00  0.186647D+01  0.110132D+00 -0.397989D-01 -0.396638D+00
                71            72            73            74            75 
      1   0.261704D+01  0.123638D+01  0.718266D+00 -0.839897D+00 -0.844092D+00
      2  -0.126416D-01  0.259670D+01  0.195129D+01 -0.412354D+00  0.204697D+01
      3  -0.482033D+00  0.842849D+00  0.250804D+00 -0.193994D+01 -0.313806D+00
                76            77            78            79            80 
      1  -0.562217D+00  0.248133D+00 -0.202309D+00 -0.212079D+01  0.183554D+01
      2  -0.544841D+00  0.647642D+00  0.229783D+00 -0.464149D+01 -0.737910D+00
      3   0.272495D+00  0.699093D+00 -0.200169D+00 -0.272797D+01 -0.456809D+00
                81            82            83            84            85 
      1   0.668387D+01 -0.785235D+00 -0.867072D-01 -0.470807D+00 -0.160079D+00
      2   0.478161D+01 -0.388387D+00  0.158289D+00  0.108500D+01 -0.908629D-01
      3   0.247875D+01  0.252986D+01  0.184575D+00  0.822108D+00  0.614939D+01
                86            87            88            89            90 
      1  -0.345345D+01 -0.316727D+01 -0.378803D+00 -0.917729D+00 -0.270822D+00
      2  -0.121270D+00 -0.683652D+00 -0.120218D+01 -0.770786D+00 -0.326406D+00
      3   0.865624D+01  0.875716D+00  0.268239D+01  0.193099D+01  0.134246D+01
                91            92            93            94            95 
      1   0.513306D+00  0.781016D-01  0.885460D+00 -0.911453D-01  0.393661D+00
      2  -0.997452D-01 -0.493296D+00 -0.114683D+01 -0.135827D+00 -0.380775D+00
      3   0.100229D+02  0.933904D+01  0.182082D+00  0.127265D+02  0.183655D+02
                96            97            98            99           100 
      1  -0.113683D+01  0.927104D+00  0.104074D+01  0.283969D+00  0.228050D+01
      2  -0.233352D+01 -0.162778D+01 -0.192132D+01  0.457160D-01  0.219683D+01
      3   0.607778D+00 -0.346119D+00 -0.931441D+00  0.363902D+00  0.952038D+01
               101           102           103           104           105 
      1   0.169931D+01 -0.347445D+01  0.160700D+01  0.187502D+01 -0.257703D+01
      2  -0.319486D+00 -0.211181D-01  0.153322D+00  0.662732D+00  0.599444D+00
      3   0.304878D+01 -0.220982D+01  0.783511D+01  0.496633D+01 -0.207749D+01
               106           107           108           109           110 
      1  -0.278271D+01 -0.126383D+01  0.241669D+01 -0.631130D+00 -0.439110D+00
      2  -0.220710D+01  0.383755D+00 -0.599620D+00 -0.114643D+01  0.373549D-01
      3  -0.679148D+01 -0.256807D+01  0.227369D+01  0.651305D+00  0.998336D+00
               111           112           113           114           115 
      1  -0.194818D+01 -0.554435D+00 -0.171977D+01 -0.264202D+01 -0.302555D+01
      2  -0.527387D+00 -0.175510D+00 -0.623427D+00  0.620221D-01 -0.340337D+01
      3   0.604397D+00  0.218311D+01  0.585283D+00  0.130213D+01  0.370247D+01
               116           117           118           119           120 
      1  -0.220512D+01 -0.124315D+02  0.626188D+00 -0.421532D+00 -0.717779D-01
      2  -0.580314D+00 -0.273688D+01  0.272155D+01  0.337249D+00  0.170290D+01
      3   0.155282D+01  0.377621D+01 -0.480215D+01 -0.444726D+01 -0.362181D+00
               121           122           123           124           125 
      1  -0.150061D+01  0.836965D+00 -0.432147D+01 -0.110224D+01  0.159551D+01
      2   0.569173D+00  0.915568D+01  0.827379D+01 -0.533098D+00  0.571963D+01
      3  -0.175032D+01 -0.225539D+02 -0.907029D+01  0.659466D+00 -0.114227D+02
               126 
      1  -0.189675D+01
      2   0.342446D+01
      3  -0.542385D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.444003D+02 -0.547560D+01  0.523053D+01 -0.156544D+02  0.117117D+02
      2   0.241044D+02  0.310154D+01 -0.417376D+01  0.965526D+01 -0.134669D+02
      3   0.202959D+02  0.237406D+01 -0.105677D+01  0.599918D+01  0.175512D+01
      4   0.289890D+00 -0.501030D+01  0.238286D+01  0.826826D+01  0.122476D+01
      5   0.733385D+01  0.362256D+01 -0.112296D+02 -0.750745D+00  0.202849D+01
      6  -0.435647D+01  0.137388D+01 -0.901201D+00  0.128781D+01 -0.384742D+01
                 6             7             8             9            10 
      1   0.109723D+01  0.124369D+02  0.702466D-01  0.145670D+02  0.988070D+02
      2  -0.287675D+01 -0.999521D+01 -0.275334D+01 -0.353503D+00 -0.546492D+02
      3   0.177952D+01 -0.244168D+01  0.268310D+01 -0.142135D+02 -0.441577D+02
      4   0.124075D+01 -0.285460D+01  0.170348D+01  0.134229D+01 -0.466203D+01
      5  -0.348996D+01  0.653910D+01  0.884669D+00 -0.487395D+01 -0.114500D+02
      6   0.162152D+01 -0.704652D+00  0.162002D+01  0.350330D+01  0.600274D-01
                11            12            13            14            15 
      1   0.134829D+01 -0.128511D+02  0.508416D+01  0.120215D+01  0.238095D+00
      2  -0.296077D+01  0.584744D+01 -0.731586D+01  0.911401D+01 -0.363674D+01
      3   0.161249D+01  0.700366D+01  0.223171D+01 -0.103162D+02  0.339865D+01
      4   0.162826D+02 -0.482706D+01  0.245896D+02 -0.325978D+02 -0.161303D+02
      5  -0.556808D+01  0.282790D+02 -0.336854D+01 -0.175457D+02 -0.120978D+02
      6   0.480505D+00 -0.113017D+01 -0.212184D+01 -0.644376D+01  0.143727D+02
                16            17            18            19            20 
      1  -0.181263D+02  0.310187D+01  0.369747D+01 -0.139415D+01 -0.272409D+01
      2   0.769980D+01 -0.969649D+00 -0.201858D+02  0.508607D+01  0.147654D+01
      3   0.104265D+02 -0.213222D+01  0.164883D+02 -0.369193D+01  0.124755D+01
      4  -0.982788D-01 -0.173221D+02 -0.104306D+02 -0.584991D+01  0.753402D+01
      5   0.348780D+02 -0.101467D+02 -0.673120D+01  0.319465D+01 -0.769169D-01
      6  -0.379685D+01  0.113611D+02 -0.333504D+01  0.135974D+01 -0.142776D+01
                21            22            23            24            25 
      1  -0.365249D+00  0.882316D+01  0.144526D+01  0.201638D+01 -0.938443D+01
      2  -0.145296D+01 -0.382993D+01 -0.665623D+01 -0.875878D+00  0.456720D+01
      3   0.181820D+01 -0.499323D+01  0.521097D+01 -0.114050D+01  0.481722D+01
      4  -0.531417D+00 -0.748085D+01  0.964176D+01 -0.156120D+01 -0.268699D+01
      5   0.213342D+01  0.412241D-01 -0.616436D+00  0.423302D+01 -0.126039D+01
      6  -0.134366D+00 -0.268356D+01 -0.744676D+00 -0.245808D+01  0.655568D-01
                26            27            28            29            30 
      1   0.121098D+01  0.561390D+01  0.172303D+02  0.798434D+01  0.667489D+00
      2  -0.396032D+01  0.871540D+01 -0.144077D+02 -0.108434D+02  0.225590D+01
      3   0.274934D+01 -0.143293D+02 -0.282261D+01  0.285911D+01 -0.292338D+01
      4  -0.384458D+00  0.657339D+00 -0.457221D+01 -0.449401D+01  0.323387D+01
      5  -0.191909D+00 -0.236510D+01  0.596435D+00  0.159894D+01  0.512037D+01
      6   0.120099D+01  0.140378D+01  0.527387D+01  0.245851D+01 -0.829154D+01
                31            32            33            34            35 
      1   0.291307D+01 -0.138818D+02 -0.134945D+01 -0.765867D+00 -0.271213D-01
      2  -0.871207D+01  0.239383D+02  0.386703D+01  0.238534D+01  0.446335D+01
      3   0.579900D+01 -0.100564D+02 -0.251758D+01 -0.161947D+01 -0.443623D+01
      4   0.287734D+01 -0.139917D+02  0.141760D+01  0.376057D+01  0.127993D+01
      5   0.778784D+00  0.403820D+00 -0.288023D+01  0.423576D+01 -0.258823D+01
      6   0.298306D+01  0.455794D+01  0.135502D+01 -0.858720D+01 -0.235721D+01
                36            37            38            39            40 
      1   0.525343D+01 -0.938071D+01  0.129712D+02 -0.734606D+00 -0.405078D+00
      2  -0.251787D+01  0.282884D+01 -0.122130D+02 -0.152656D+01 -0.527205D+01
      3  -0.273557D+01  0.655188D+01 -0.758114D+00  0.226117D+01  0.567713D+01
      4  -0.689316D+01  0.802338D+01 -0.135631D+02  0.175740D+00 -0.241686D+02
      5   0.189497D+01 -0.985398D+00 -0.399438D+00 -0.857617D+01 -0.254517D+01
      6  -0.130479D+02 -0.694543D+00 -0.258094D+00  0.154170D+01 -0.777111D+00
                41            42            43            44            45 
      1   0.664644D+01 -0.807669D-01  0.347517D+01 -0.336761D+01 -0.456393D+01
      2  -0.187667D+02  0.124589D+00 -0.309014D+01  0.235461D+01 -0.666085D+01
      3   0.121203D+02 -0.438222D-01 -0.385029D+00  0.101300D+01  0.112248D+02
      4  -0.299812D+02  0.720755D+00  0.136436D+00  0.261159D+01 -0.282752D+01
      5   0.851850D-01 -0.281792D+01  0.308497D+01 -0.230678D+01  0.402962D+01
      6  -0.152201D+01 -0.132579D+02 -0.387899D+00  0.347716D+01  0.878174D+00
                46            47            48            49            50 
      1   0.122642D+02  0.652700D+01 -0.274212D+00  0.111767D+02 -0.232670D+02
      2  -0.205032D+01  0.240824D+01  0.506632D+00  0.256671D+01  0.443589D+02
      3  -0.102138D+02 -0.893524D+01 -0.232421D+00 -0.137434D+02 -0.210919D+02
      4   0.194733D+02  0.238561D+02 -0.612194D-01  0.277466D+02  0.568748D+02
      5   0.536250D+00  0.234397D+00  0.836763D+01  0.158757D+01  0.682810D+00
      6   0.412050D+00  0.518025D+00  0.364985D+01  0.114237D+01  0.142736D+01
                51            52            53            54            55 
      1  -0.476333D+00 -0.724948D+00  0.207078D+00 -0.375488D+01  0.568154D+02
      2   0.599738D-01  0.103579D+01 -0.747189D+00  0.325120D+01 -0.336072D+02
      3   0.416359D+00 -0.310839D+00  0.540111D+00  0.503680D+00 -0.232082D+02
      4   0.149857D+00 -0.306059D+00 -0.111614D+01  0.132557D+02 -0.216277D+02
      5   0.110222D+02  0.960811D+01  0.135622D+02 -0.876243D+00 -0.535705D+00
      6   0.171987D+02  0.419829D+01  0.141850D+02 -0.443210D+00  0.492263D+00
                56            57            58            59            60 
      1  -0.959548D+01  0.196633D+00  0.549570D+01  0.137329D+02 -0.615393D+00
      2   0.324496D+01  0.463447D+00 -0.642361D+01 -0.608287D+01  0.169752D+00
      3   0.635052D+01 -0.660080D+00  0.927911D+00 -0.765002D+01  0.445642D+00
      4   0.203995D+02  0.304956D+00  0.211775D+02 -0.191858D+01 -0.923229D+00
      5  -0.151862D+00  0.176963D+02 -0.213062D+00 -0.101629D+01 -0.434932D+01
      6  -0.185066D+00 -0.443717D+01 -0.785586D+00  0.825368D+00  0.708331D+01
                61            62            63            64            65 
      1  -0.174512D+01  0.104542D+01  0.687167D+01  0.514541D+00  0.440596D+00
      2   0.164058D+01 -0.457909D-01 -0.857495D+01 -0.340193D+01 -0.190209D+00
      3   0.104535D+00 -0.999630D+00  0.170328D+01  0.288739D+01 -0.250386D+00
      4   0.844543D+00 -0.163751D+01 -0.543790D+01  0.133146D+00  0.270611D+00
      5   0.161712D+02 -0.599774D+01 -0.360630D+01 -0.601104D+00 -0.296079D-01
      6  -0.196858D+01  0.482080D+01  0.585062D+00 -0.529338D+00  0.306572D+00
                66            67            68            69            70 
      1   0.105861D+01  0.257710D+00 -0.445706D+01 -0.347409D+00  0.185270D+01
      2   0.960315D+00  0.542274D+00  0.998471D+00 -0.943628D+00  0.102411D+01
      3  -0.201893D+01 -0.799984D+00  0.345859D+01  0.129104D+01 -0.287681D+01
      4  -0.252738D+00  0.205782D+01 -0.824227D+00  0.275764D+00  0.116343D+01
      5   0.419601D+01  0.358730D+00  0.270827D-01 -0.317741D+00  0.380968D+01
      6   0.348281D+00  0.218888D+00  0.496514D+00  0.602931D+01  0.180087D+00
                71            72            73            74            75 
      1   0.117246D+01 -0.170717D+02  0.269933D+01  0.611605D-01  0.353790D+01
      2  -0.984856D+00 -0.123162D+02 -0.426495D+01  0.205758D-01  0.618486D+00
      3  -0.187608D+00  0.293880D+02  0.156562D+01 -0.817363D-01 -0.415639D+01
      4   0.912771D+00 -0.737426D+00  0.343835D+00  0.273897D+01 -0.177935D+01
      5   0.749644D-01  0.149799D+01 -0.122928D+01 -0.126178D+01  0.702134D+01
      6   0.374177D+01 -0.247231D+01 -0.689724D+00 -0.107848D+01  0.979756D+00
                76            77            78            79            80 
      1   0.233827D+01 -0.499765D+01  0.813499D+00  0.106389D+02  0.466893D+01
      2  -0.101434D+01  0.258134D+01 -0.836151D+00 -0.181404D+01 -0.689748D+00
      3  -0.132393D+01  0.241631D+01  0.226523D-01 -0.882488D+01 -0.397918D+01
      4   0.669870D+00 -0.489889D+00  0.624300D+00 -0.988328D+00  0.403256D+00
      5  -0.101613D+01  0.435911D+00  0.274069D+00  0.160076D+01 -0.119672D+01
      6  -0.124427D+01 -0.171098D+01  0.518588D+01  0.157703D+01  0.562671D+01
                81            82            83            84            85 
      1  -0.249734D+02  0.211162D+01 -0.996858D+00 -0.865282D+00 -0.570414D+01
      2  -0.699595D+01  0.123623D+01  0.935125D+00  0.110625D+01  0.462669D+01
      3   0.319694D+02 -0.334785D+01  0.617327D-01 -0.240970D+00  0.107745D+01
      4  -0.734626D+00  0.288876D+00  0.476990D+01  0.204533D+00  0.290601D+01
      5   0.627023D+01 -0.694075D+00 -0.288056D+00  0.155467D+01 -0.843595D+00
      6  -0.100251D+02  0.902781D+00  0.553716D-01  0.151362D+00 -0.147200D+00
                86            87            88            89            90 
      1  -0.189153D+02 -0.134847D+01 -0.383846D+01 -0.378437D+01 -0.510087D+01
      2   0.278134D+02  0.291957D+01  0.276408D+01  0.445457D+01  0.260729D+01
      3  -0.889809D+01 -0.157110D+01  0.107438D+01 -0.670197D+00  0.249358D+01
      4  -0.103288D+02 -0.786848D+00 -0.245487D+00 -0.235190D+01 -0.136046D+01
      5  -0.113138D+01 -0.146209D+01  0.611055D+00 -0.146107D+01 -0.484591D+00
      6   0.482469D+00  0.447162D+01  0.661259D+00  0.550255D+01  0.141609D+01
                91            92            93            94            95 
      1  -0.147496D+02 -0.491929D+01 -0.209827D+00 -0.178714D+02 -0.695042D+01
      2   0.119106D+02  0.125660D+01  0.325092D+00  0.960839D+01  0.105943D+02
      3   0.283894D+01  0.366269D+01 -0.115265D+00  0.826304D+01 -0.364390D+01
      4  -0.359042D+01  0.989524D-01 -0.381296D+00  0.722956D+01 -0.205358D+02
      5   0.409308D+00  0.261565D+00 -0.153340D+01  0.690798D+00  0.444657D+00
      6  -0.140201D+00  0.315349D-01 -0.174957D+01  0.308258D+00 -0.117731D+00
                96            97            98            99           100 
      1   0.164385D+00  0.891543D+00  0.305020D+00 -0.646436D+00 -0.226105D+01
      2  -0.154511D+00 -0.520403D+00 -0.347375D+00  0.135472D-01  0.619055D+01
      3  -0.987397D-02 -0.371140D+00  0.423541D-01  0.632889D+00 -0.392950D+01
      4  -0.425323D-01 -0.147396D+00  0.559188D+00 -0.295895D+01  0.705850D+01
      5  -0.431664D+01  0.322843D+01 -0.276779D+01  0.195984D+00 -0.165965D+01
      6   0.169212D+01 -0.152867D+01  0.265303D+01 -0.319960D+00 -0.526597D+01
               101           102           103           104           105 
      1  -0.886429D+01  0.181993D+01 -0.554902D+01 -0.951660D+01  0.252321D+01
      2   0.134474D+02 -0.365467D+01  0.905106D+01  0.157607D+02 -0.457699D+01
      3  -0.458316D+01  0.183475D+01 -0.350205D+01 -0.624408D+01  0.205378D+01
      4   0.957527D+01 -0.350242D+01  0.936921D+01  0.740029D+01 -0.301522D+01
      5  -0.193089D+01  0.167931D+01 -0.406408D+00 -0.156830D+01  0.135998D+01
      6  -0.547043D+01  0.605485D+01 -0.437985D+01 -0.597301D+01  0.549927D+01
               106           107           108           109           110 
      1   0.272009D+01  0.610245D+01 -0.531372D+01 -0.175705D+01 -0.197219D+01
      2  -0.379149D+01 -0.727631D+01  0.366785D+01  0.132847D+01  0.219941D+01
      3   0.107140D+01  0.117387D+01  0.164587D+01  0.428577D+00 -0.227220D+00
      4  -0.511289D+01 -0.391681D+01  0.432021D+01  0.763712D-01  0.266436D+01
      5   0.191142D+01  0.211166D+01 -0.222183D+01  0.852774D+00  0.822575D+00
      6   0.544930D+01  0.802066D+01 -0.643586D+01  0.123694D+01  0.272139D+01
               111           112           113           114           115 
      1  -0.194919D+01 -0.255363D+00 -0.457896D+01 -0.284373D+01 -0.748057D+00
      2   0.112669D+01  0.455028D+00  0.492452D+01  0.311089D+01 -0.265911D+00
      3   0.822505D+00 -0.199665D+00 -0.345566D+00 -0.267162D+00  0.101397D+01
      4   0.153302D+01  0.332431D+01  0.153704D+01  0.136311D+01  0.359625D+01
      5   0.162077D+01  0.217326D+00  0.479075D+00  0.970508D+00  0.216620D+01
      6   0.351843D+01  0.217287D+01  0.388599D+01  0.701588D+01  0.425857D+01
               116           117           118           119           120 
      1  -0.783659D+01 -0.122415D+02  0.560585D+01  0.601729D+01  0.377348D+01
      2   0.579291D+01 -0.600826D+00 -0.135651D+01 -0.228398D+01 -0.191986D+01
      3   0.204367D+01  0.128423D+02 -0.424934D+01 -0.373330D+01 -0.185363D+01
      4   0.150412D+01  0.250587D+01  0.521644D+01  0.122447D+02  0.280049D+01
      5   0.303138D+00  0.202502D+00  0.350827D+01  0.246656D+01  0.427454D+01
      6   0.100648D+02  0.222070D+02  0.193858D+01  0.474057D+00  0.399795D+00
               121           122           123           124           125 
      1   0.894970D+01  0.247913D+00  0.675442D+00  0.380030D+01 -0.240208D+01
      2  -0.313552D+01  0.804559D+01  0.271546D+01 -0.115725D+01  0.117583D+01
      3  -0.581418D+01 -0.829350D+01 -0.339091D+01 -0.264304D+01  0.122625D+01
      4   0.130124D+02  0.345908D+02  0.159435D+02  0.293879D+01  0.177546D+02
      5   0.546921D+01  0.172910D+02  0.138719D+02  0.499472D+01  0.103218D+02
      6   0.330250D+01  0.798391D+01  0.479485D+01  0.118526D+01  0.745030D+01
               126 
      1  -0.273973D+01
      2  -0.452071D+00
      3   0.319180D+01
      4   0.929919D+01
      5   0.634426D+01
      6   0.538594D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:14:42 2021, MaxMem=  5368709120 cpu:            3862.1 elap:             484.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -89.06356 -19.31743 -19.26231 -14.48211 -10.43606
 Alpha  occ. eigenvalues --  -10.36906 -10.34928  -8.08156  -6.03093  -6.02737
 Alpha  occ. eigenvalues --   -6.02074  -1.21717  -1.13440  -1.03824  -0.91238
 Alpha  occ. eigenvalues --   -0.83212  -0.74182  -0.70077  -0.65589  -0.61157
 Alpha  occ. eigenvalues --   -0.58294  -0.56564  -0.54169  -0.53488  -0.50159
 Alpha  occ. eigenvalues --   -0.47901  -0.46946  -0.42948  -0.40995  -0.39771
 Alpha  occ. eigenvalues --   -0.36068  -0.33924
 Alpha virt. eigenvalues --    0.01889   0.04216   0.04605   0.04862   0.06315
 Alpha virt. eigenvalues --    0.07013   0.07100   0.07937   0.08663   0.09882
 Alpha virt. eigenvalues --    0.11254   0.11548   0.12589   0.13033   0.13369
 Alpha virt. eigenvalues --    0.14897   0.15004   0.15097   0.15310   0.16012
 Alpha virt. eigenvalues --    0.17027   0.17736   0.18167   0.18556   0.19584
 Alpha virt. eigenvalues --    0.19883   0.20582   0.21186   0.23874   0.24733
 Alpha virt. eigenvalues --    0.25543   0.26100   0.26608   0.27891   0.28361
 Alpha virt. eigenvalues --    0.28635   0.29310   0.30539   0.30943   0.32048
 Alpha virt. eigenvalues --    0.32498   0.33545   0.33796   0.35718   0.36733
 Alpha virt. eigenvalues --    0.37497   0.38788   0.39152   0.39688   0.41271
 Alpha virt. eigenvalues --    0.41584   0.42283   0.43760   0.44221   0.45377
 Alpha virt. eigenvalues --    0.46219   0.48305   0.48610   0.49129   0.50087
 Alpha virt. eigenvalues --    0.51476   0.52069   0.53176   0.53283   0.54480
 Alpha virt. eigenvalues --    0.56280   0.56916   0.57752   0.60314   0.60528
 Alpha virt. eigenvalues --    0.61239   0.62355   0.63306   0.64814   0.65516
 Alpha virt. eigenvalues --    0.66222   0.67246   0.68495   0.70239   0.70584
 Alpha virt. eigenvalues --    0.71551   0.72668   0.74349   0.76609   0.77795
 Alpha virt. eigenvalues --    0.79198   0.79760   0.80528   0.82107   0.83114
 Alpha virt. eigenvalues --    0.85774   0.87104   0.88510   0.89390   0.91182
 Alpha virt. eigenvalues --    0.92597   0.93906   0.96691   0.98429   0.99254
 Alpha virt. eigenvalues --    1.00259   1.00951   1.03469   1.04409   1.05284
 Alpha virt. eigenvalues --    1.06906   1.07228   1.09041   1.10111   1.11981
 Alpha virt. eigenvalues --    1.13630   1.16178   1.17019   1.19432   1.21182
 Alpha virt. eigenvalues --    1.22140   1.24217   1.26381   1.26575   1.30596
 Alpha virt. eigenvalues --    1.31195   1.34947   1.37875   1.38224   1.40081
 Alpha virt. eigenvalues --    1.44062   1.46474   1.48339   1.53702   1.56363
 Alpha virt. eigenvalues --    1.59414   1.61957   1.63604   1.64462   1.67327
 Alpha virt. eigenvalues --    1.69247   1.72255   1.72997   1.75673   1.77584
 Alpha virt. eigenvalues --    1.80328   1.83436   1.84571   1.86904   1.87036
 Alpha virt. eigenvalues --    1.91079   1.91743   1.96256   1.97002   1.98925
 Alpha virt. eigenvalues --    2.01140   2.06461   2.07623   2.11523   2.13341
 Alpha virt. eigenvalues --    2.15232   2.17860   2.18738   2.19646   2.23454
 Alpha virt. eigenvalues --    2.23814   2.26367   2.29557   2.31130   2.34602
 Alpha virt. eigenvalues --    2.36251   2.37547   2.43276   2.44092   2.50397
 Alpha virt. eigenvalues --    2.56012   2.58906   2.61465   2.66814   2.69145
 Alpha virt. eigenvalues --    2.73641   2.77007   2.81843   2.87610   2.92505
 Alpha virt. eigenvalues --    3.05108   3.09448   3.11239   3.19644   3.34986
 Alpha virt. eigenvalues --    3.39067   3.43694   3.44994   3.47920   3.51467
 Alpha virt. eigenvalues --    3.54971   3.55844   3.64678   3.79067   3.88714
 Alpha virt. eigenvalues --    4.04938
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.095851   0.258768   0.317797  -0.042378  -0.165971  -0.009788
     2  S    0.258768  15.735525  -0.073643   0.029094  -0.040517   0.007721
     3  C    0.317797  -0.073643   5.922566   0.101795  -0.647568  -0.013311
     4  N   -0.042378   0.029094   0.101795   6.737020  -0.058450  -0.003692
     5  C   -0.165971  -0.040517  -0.647568  -0.058450   6.125929   0.339570
     6  O   -0.009788   0.007721  -0.013311  -0.003692   0.339570   8.265652
     7  O   -0.034365   0.001887   0.207643  -0.063720  -0.168576  -0.099063
     8  H   -0.138635  -0.037422   0.066004  -0.100782  -0.108205   0.004585
     9  H    0.226145  -0.131649  -0.012439  -0.123507   0.022768   0.015949
    10  H    0.123218  -0.240843   0.152113   0.009306  -0.050661  -0.015329
    11  H    0.015894  -0.001704  -0.137101   0.077711  -0.028316   0.018183
    12  H    0.027706  -0.003428   0.033060   0.306006  -0.019854   0.001054
    13  H   -0.090995  -0.012439  -0.100777   0.426094   0.045680   0.001745
    14  H    0.008897   0.223329  -0.086458   0.041042   0.004878  -0.000350
               7          8          9         10         11         12
     1  C   -0.034365  -0.138635   0.226145   0.123218   0.015894   0.027706
     2  S    0.001887  -0.037422  -0.131649  -0.240843  -0.001704  -0.003428
     3  C    0.207643   0.066004  -0.012439   0.152113  -0.137101   0.033060
     4  N   -0.063720  -0.100782  -0.123507   0.009306   0.077711   0.306006
     5  C   -0.168576  -0.108205   0.022768  -0.050661  -0.028316  -0.019854
     6  O   -0.099063   0.004585   0.015949  -0.015329   0.018183   0.001054
     7  O    8.324869   0.009454  -0.005992   0.005672   0.263647   0.004309
     8  H    0.009454   1.548449   0.090081  -0.050580  -0.003739  -0.080353
     9  H   -0.005992   0.090081   1.479820  -0.248838  -0.001574  -0.003300
    10  H    0.005672  -0.050580  -0.248838   1.495256   0.001923  -0.004076
    11  H    0.263647  -0.003739  -0.001574   0.001923   0.609765   0.000908
    12  H    0.004309  -0.080353  -0.003300  -0.004076   0.000908   0.864149
    13  H   -0.003674   0.031262   0.006710   0.000234  -0.006075  -0.159672
    14  H    0.000658  -0.017589  -0.056363   0.040552   0.001241   0.005835
              13         14
     1  C   -0.090995   0.008897
     2  S   -0.012439   0.223329
     3  C   -0.100777  -0.086458
     4  N    0.426094   0.041042
     5  C    0.045680   0.004878
     6  O    0.001745  -0.000350
     7  O   -0.003674   0.000658
     8  H    0.031262  -0.017589
     9  H    0.006710  -0.056363
    10  H    0.000234   0.040552
    11  H   -0.006075   0.001241
    12  H   -0.159672   0.005835
    13  H    0.837652  -0.005485
    14  H   -0.005485   0.819729
 Mulliken charges:
               1
     1  C    0.407857
     2  S    0.285319
     3  C    0.270319
     4  N   -0.335539
     5  C    0.749293
     6  O   -0.512926
     7  O   -0.442748
     8  H   -0.212531
     9  H   -0.257813
    10  H   -0.217948
    11  H    0.189238
    12  H    0.027656
    13  H    0.029740
    14  H    0.020084
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.067904
     2  S    0.305403
     3  C    0.057788
     4  N   -0.278144
     5  C    0.749293
     6  O   -0.512926
     7  O   -0.253510
 Electronic spatial extent (au):  <R**2>=           1132.2268
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.5024    Y=              3.7821    Z=              0.6092  Tot=              4.5758
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.8181   YY=            -49.2330   ZZ=            -47.1089
   XY=             -1.9025   XZ=              1.5476   YZ=              1.4186
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.7648   YY=              3.8203   ZZ=              5.9445
   XY=             -1.9025   XZ=              1.5476   YZ=              1.4186
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              1.9967  YYY=             15.1703  ZZZ=              2.4458  XYY=              8.3120
  XXY=             18.7729  XXZ=              0.4009  XZZ=             -6.8647  YZZ=              2.8511
  YYZ=              0.9790  XYZ=              2.1295
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1164.9199 YYYY=           -303.9576 ZZZZ=            -79.0889 XXXY=             11.7642
 XXXZ=              3.5348 YYYX=             -9.1704 YYYZ=              3.1488 ZZZX=              3.2336
 ZZZY=              3.5423 XXYY=           -232.3368 XXZZ=           -198.0333 YYZZ=            -60.2393
 XXYZ=              7.8953 YYXZ=             -1.7368 ZZXY=              2.4683
 N-N= 3.742678832270D+02 E-N=-2.452441610099D+03  KE= 7.190097226657D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:14:42 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.00807511D+00 1.49224262D+00 2.23181640D-01
 Polarizability= 8.36422555D+01 1.23653984D+00 7.02428125D+01
                -1.54045702D+00 6.60536905D-01 5.22931836D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.3605    0.3618        0.2994    0.3008
 2     -0.3605   -0.3618        0.3496    0.3500       -7.1037   -7.1057
 3     -0.2994   -0.3008       15.4861   15.4874       -0.3507   -0.3500
 4     -0.3496   -0.3500        0.0000    0.0000       -0.3057   -0.3008
 5     -8.3823   -8.3818        0.3057    0.3008        0.3645    0.3618
 6      0.3507    0.3500       -0.3645   -0.3618        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0855   -1.0855        0.9023    0.9023
 2     -1.0501   -1.0501        0.0000    0.0000        0.9023    0.9023
 3     -1.0501   -1.0501       -1.0855   -1.0855        0.0000    0.0000
 4     -1.0855   -1.0855        1.0501    1.0501      -21.3170  -21.3170
 5     -0.9023   -0.9023       46.4623   46.4623       -1.0501   -1.0501
 6    -25.1453  -25.1453        0.9023    0.9023        1.0855    1.0855
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1159    0.0000       -1.5895   -1.4473       -1.7292   -1.2030
 2      1.3998    1.4473       -1.4332   -1.4001       27.8929   28.4227
 3      1.2455    1.2030      -61.6628  -61.9498        1.3859    1.4001
 4      1.1409    1.4001        0.0539    0.0000        1.1233    1.2030
 5     33.5089   33.5271       -1.0740   -1.2030       -1.3893   -1.4473
 6     -1.4626   -1.4001        1.4461    1.4473       -0.0672    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0614    0.0000       -3.8865   -3.7838        0.7636    0.7172
 2      3.7813    3.7838       19.7008   19.4501       -2.3997   -2.7260
 3     -0.4764   -0.7172       12.2357   11.7267      -19.8175  -19.4501
 4    -19.4922  -19.4501        0.1560    0.0000       -0.8441   -0.7172
 5     -9.0791   -9.0007        1.0886    0.7172       -3.8477   -3.7838
 6     19.4457   19.4501        3.9030    3.7838       -0.0808    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.4977  -18.5059        5.6274    5.4119       -2.0379   -1.9150
 2    -49.2429  -49.2250        2.8319    2.7464       -1.8837   -1.9150
 3    -49.2529  -49.2250        5.4628    5.4119       -2.9520   -2.9782
 4      2.6244    2.6655       31.1488   30.7191        1.5299    1.2577
 5     -1.0010   -1.0632       14.0182   13.5918      -31.2616  -30.7191
 6    -14.7298  -14.8495        1.8461    1.0632       -2.7549   -2.6655
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.2556   -1.2026    0.0017    0.0025    0.0027    3.2043
 Low frequencies ---   70.6550   93.3205  178.9969
 Diagonal vibrational polarizability:
       27.0245173      36.2817680      21.9730227
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.6522                93.3204               178.9969
 Red. masses --      5.0198                 3.2598                 4.7319
 Frc consts  --      0.0148                 0.0167                 0.0893
 IR Inten    --      1.9555                 6.3296                 9.4754
 RamAct Fr= 1--      0.4283                 0.2939                 0.5371
  Dep-P Fr= 1--      0.7482                 0.6480                 0.7103
  Dep-U Fr= 1--      0.8560                 0.7864                 0.8306
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0004
 Beta2  Fr= 1--      0.0611                 0.0385                 0.0744
 AlphaG Fr= 1--      0.0004                -0.0029                -0.0002
 Gamma2 Fr= 1--      0.3322                 0.5590                -0.7095
 Delta2 Fr= 1--      0.2450                 0.2000                -0.1889
 Raman1 Fr= 1--       1.713                  1.176                  2.148
 ROA1   Fr= 1--      39.732                 60.062                -74.157
 CID1   Fr= 1--      23.192                 51.089                -34.517
 Raman2 Fr= 1--       0.733                  0.462                  0.892
 ROA2   Fr= 1--       6.014                 11.816                -15.518
 CID2   Fr= 1--       8.202                 25.560                -17.392
 Raman3 Fr= 1--       1.466                  0.925                  1.784
 ROA3   Fr= 1--      39.732                 60.062                -74.157
 CID3   Fr= 1--      27.095                 64.963                -41.557
 RC180  Fr= 1--       0.712                  0.573                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.08   0.07    -0.01  -0.15  -0.20    -0.08   0.05  -0.23
     2  16    -0.00  -0.03   0.08     0.00   0.12   0.08     0.03  -0.13   0.08
     3   6    -0.01  -0.01  -0.08    -0.01  -0.08  -0.11    -0.04   0.18  -0.14
     4   7    -0.01   0.03  -0.23     0.09  -0.09  -0.09    -0.11   0.15  -0.03
     5   6     0.00  -0.01  -0.02    -0.03  -0.00   0.01     0.04   0.04  -0.01
     6   8    -0.01  -0.02  -0.26    -0.09   0.01   0.08     0.22   0.02   0.12
     7   8     0.05  -0.02   0.35     0.04   0.06   0.08    -0.08  -0.10   0.07
     8   1     0.02  -0.15  -0.07    -0.10  -0.07  -0.12    -0.10   0.27  -0.16
     9   1    -0.07   0.24   0.06    -0.11  -0.41  -0.20    -0.20  -0.14  -0.23
    10   1    -0.04   0.04   0.22     0.11  -0.10  -0.44    -0.16   0.11  -0.40
    11   1     0.05  -0.02   0.33     0.08   0.03   0.01    -0.23  -0.03  -0.01
    12   1    -0.19   0.03  -0.46     0.17  -0.15  -0.05    -0.08   0.21   0.07
    13   1     0.23   0.16  -0.30     0.07  -0.13  -0.08    -0.17   0.07   0.00
    14   1    -0.05   0.13  -0.19    -0.11  -0.12   0.52     0.14  -0.26   0.30
                      4                      5                      6
                      A                      A                      A
 Frequencies --    221.6284               266.1813               327.3874
 Red. masses --      1.1447                 8.9496                 1.2096
 Frc consts  --      0.0331                 0.3736                 0.0764
 IR Inten    --     25.2567                 5.4161                11.4018
 RamAct Fr= 1--      0.2317                 3.5632                 0.2232
  Dep-P Fr= 1--      0.6775                 0.2189                 0.7487
  Dep-U Fr= 1--      0.8077                 0.3592                 0.8563
 Alpha2 Fr= 1--      0.0003                 0.0460                 0.0000
 Beta2  Fr= 1--      0.0312                 0.2133                 0.0318
 AlphaG Fr= 1--      0.0024                 0.0068                 0.0000
 Gamma2 Fr= 1--     -0.0658                 0.3258                -0.0964
 Delta2 Fr= 1--     -0.1605                 0.0721                 0.0381
 Raman1 Fr= 1--       0.927                 14.253                  0.893
 ROA1   Fr= 1--     -11.455                 33.585                 -8.037
 CID1   Fr= 1--     -12.361                  2.356                 -9.003
 Raman2 Fr= 1--       0.374                  2.560                  0.382
 ROA2   Fr= 1--      -0.296                  7.243                 -2.619
 CID2   Fr= 1--      -0.790                  2.829                 -6.854
 Raman3 Fr= 1--       0.748                  5.120                  0.764
 ROA3   Fr= 1--     -11.455                 33.585                 -8.037
 CID3   Fr= 1--     -15.303                  6.559                -10.515
 RC180  Fr= 1--       0.615                 -0.282                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.06     0.16   0.12  -0.10     0.00  -0.01  -0.02
     2  16    -0.00   0.01  -0.04     0.36  -0.05   0.03     0.01   0.00   0.00
     3   6    -0.00  -0.00   0.03    -0.07  -0.02  -0.02    -0.01   0.02   0.05
     4   7    -0.01   0.02  -0.04    -0.30  -0.02   0.02     0.05   0.03   0.03
     5   6    -0.00  -0.00   0.01    -0.15  -0.04   0.02    -0.02  -0.00   0.03
     6   8    -0.00  -0.01  -0.03    -0.34  -0.01   0.01    -0.00  -0.01  -0.00
     7   8    -0.01  -0.01   0.01    -0.07   0.06   0.00    -0.05  -0.02  -0.05
     8   1     0.01  -0.04   0.04    -0.16   0.04  -0.04    -0.07   0.00   0.04
     9   1     0.07   0.09   0.06     0.20   0.13  -0.10     0.02  -0.09  -0.01
    10   1    -0.02   0.01   0.12     0.20   0.09  -0.05    -0.01   0.01  -0.08
    11   1    -0.02  -0.00  -0.03     0.05   0.01   0.04    -0.02  -0.02   0.18
    12   1     0.10  -0.06   0.01    -0.44   0.14   0.00    -0.42   0.12  -0.46
    13   1    -0.09   0.05  -0.02    -0.25  -0.02   0.01     0.70   0.11  -0.13
    14   1     0.40  -0.46   0.75     0.37   0.03  -0.10     0.04  -0.07   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    355.1031               412.6224               520.8332
 Red. masses --      3.1374                 2.3838                 6.0679
 Frc consts  --      0.2331                 0.2391                 0.9698
 IR Inten    --     21.2180                 3.2445                 0.9738
 RamAct Fr= 1--      2.8329                 0.3257                 2.4771
  Dep-P Fr= 1--      0.1753                 0.7497                 0.7455
  Dep-U Fr= 1--      0.2983                 0.8570                 0.8542
 Alpha2 Fr= 1--      0.0410                 0.0000                 0.0002
 Beta2  Fr= 1--      0.1408                 0.0465                 0.3526
 AlphaG Fr= 1--      0.0101                 0.0000                -0.0040
 Gamma2 Fr= 1--     -0.2193                -0.3014                 0.9829
 Delta2 Fr= 1--     -0.2163                -0.1377                 0.3506
 Raman1 Fr= 1--      11.331                  1.303                  9.908
 ROA1   Fr= 1--     -27.971                -33.335                105.574
 CID1   Fr= 1--      -2.468                -25.587                 10.655
 Raman2 Fr= 1--       1.690                  0.558                  4.232
 ROA2   Fr= 1--      -3.532                 -6.131                 20.784
 CID2   Fr= 1--      -2.090                -10.984                  4.911
 Raman3 Fr= 1--       3.380                  1.116                  8.463
 ROA3   Fr= 1--     -27.971                -33.335                105.574
 CID3   Fr= 1--      -8.276                -29.858                 12.474
 RC180  Fr= 1--      -0.403                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.01     0.05  -0.15   0.01     0.02  -0.16   0.10
     2  16    -0.07  -0.01  -0.00    -0.01  -0.01  -0.01     0.06   0.02  -0.02
     3   6     0.03  -0.03  -0.09     0.02   0.00   0.19    -0.03  -0.16  -0.06
     4   7    -0.19  -0.05   0.08    -0.14   0.08  -0.10    -0.15  -0.26   0.00
     5   6     0.07  -0.04  -0.06     0.03   0.02   0.09    -0.04   0.21  -0.06
     6   8     0.01  -0.03   0.06     0.04   0.01  -0.06     0.28   0.18  -0.01
     7   8     0.25   0.10  -0.02     0.05   0.04  -0.02    -0.19   0.13   0.03
     8   1     0.10   0.06  -0.08    -0.00  -0.08   0.19     0.06  -0.24  -0.04
     9   1    -0.08   0.11  -0.01     0.10  -0.57   0.02     0.06   0.07   0.10
    10   1    -0.06   0.02   0.07     0.01  -0.03  -0.39     0.10  -0.22   0.29
    11   1     0.51   0.00   0.10     0.09   0.02  -0.10    -0.20   0.14   0.14
    12   1    -0.60   0.24  -0.14    -0.13   0.03  -0.14    -0.45  -0.01  -0.10
    13   1     0.16  -0.10   0.00    -0.34   0.39  -0.09     0.05  -0.32  -0.04
    14   1     0.05  -0.13   0.21    -0.15   0.02  -0.05    -0.04  -0.02   0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    596.0764               696.8288               738.9866
 Red. masses --      3.6751                 6.4385                 1.5778
 Frc consts  --      0.7693                 1.8420                 0.5077
 IR Inten    --     10.6838                10.8593                 9.0057
 RamAct Fr= 1--      1.0886                13.8269                 0.4429
  Dep-P Fr= 1--      0.2510                 0.1390                 0.7058
  Dep-U Fr= 1--      0.4012                 0.2440                 0.8275
 Alpha2 Fr= 1--      0.0129                 0.2198                 0.0003
 Beta2  Fr= 1--      0.0728                 0.5624                 0.0611
 AlphaG Fr= 1--      0.0084                 0.0535                -0.0036
 Gamma2 Fr= 1--      0.4513                -0.6037                 0.6199
 Delta2 Fr= 1--      0.2133                -0.5908                 0.0132
 Raman1 Fr= 1--       4.354                 55.308                  1.772
 ROA1   Fr= 1--      50.144                -76.864                 59.931
 CID1   Fr= 1--      11.516                 -1.390                 33.829
 Raman2 Fr= 1--       0.874                  6.749                  0.733
 ROA2   Fr= 1--       9.124                 -9.764                 14.771
 CID2   Fr= 1--      10.444                 -1.447                 20.152
 Raman3 Fr= 1--       1.747                 13.497                  1.466
 ROA3   Fr= 1--      50.144                -76.864                 59.931
 CID3   Fr= 1--      28.701                 -5.695                 40.881
 RC180  Fr= 1--      -0.198                 -0.512                  0.655
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.13  -0.11     0.32   0.19  -0.15     0.07   0.10   0.04
     2  16     0.02  -0.01   0.02    -0.16  -0.04   0.05    -0.04  -0.01   0.01
     3   6    -0.21  -0.05   0.06     0.15  -0.04  -0.03    -0.01  -0.01   0.02
     4   7     0.02  -0.06  -0.01    -0.04  -0.16  -0.02     0.01  -0.03  -0.01
     5   6    -0.06  -0.03   0.24     0.19   0.09   0.26    -0.07  -0.02  -0.11
     6   8     0.14  -0.09  -0.10    -0.10   0.16  -0.07     0.03  -0.04   0.03
     7   8     0.05   0.14  -0.07    -0.04  -0.12  -0.06    -0.03   0.06   0.03
     8   1    -0.60  -0.11   0.01    -0.19  -0.12  -0.08     0.15  -0.04   0.05
     9   1    -0.04   0.23  -0.11     0.20   0.13  -0.15    -0.08  -0.42   0.04
    10   1    -0.01   0.09   0.03     0.38   0.16  -0.10     0.32   0.20  -0.42
    11   1     0.30   0.03  -0.00    -0.33   0.01   0.09     0.07   0.01   0.01
    12   1     0.29  -0.33   0.05    -0.22   0.11   0.03     0.07  -0.11  -0.01
    13   1     0.05  -0.14  -0.00    -0.12  -0.19  -0.00     0.07  -0.05  -0.02
    14   1     0.11   0.04  -0.07     0.19  -0.03  -0.01     0.59   0.08  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    786.2754               838.7083               860.6221
 Red. masses --      2.8062                 1.2934                 1.7376
 Frc consts  --      1.0222                 0.5360                 0.7583
 IR Inten    --      1.0052               125.3862                65.4822
 RamAct Fr= 1--      1.6770                 1.4032                 9.5278
  Dep-P Fr= 1--      0.6807                 0.6395                 0.2119
  Dep-U Fr= 1--      0.8100                 0.7801                 0.3496
 Alpha2 Fr= 1--      0.0020                 0.0028                 0.1254
 Beta2  Fr= 1--      0.2264                 0.1824                 0.5552
 AlphaG Fr= 1--     -0.0050                 0.0181                -0.0613
 Gamma2 Fr= 1--      0.6374                -1.2548                -0.1954
 Delta2 Fr= 1--      0.5210                -0.3154                -0.0114
 Raman1 Fr= 1--       6.708                  5.613                 38.111
 ROA1   Fr= 1--      77.862               -130.554                -19.123
 CID1   Fr= 1--      11.608                -23.260                 -0.502
 Raman2 Fr= 1--       2.717                  2.189                  6.662
 ROA2   Fr= 1--      11.129                -27.593                 -4.598
 CID2   Fr= 1--       4.097                -12.603                 -0.690
 Raman3 Fr= 1--       5.433                  4.379                 13.325
 ROA3   Fr= 1--      77.862               -130.554                -19.123
 CID3   Fr= 1--      14.330                -29.816                 -1.435
 RC180  Fr= 1--       0.620                  0.560                 -0.301
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.22  -0.02  -0.08     0.06  -0.04   0.01    -0.08  -0.00   0.05
     2  16    -0.05  -0.02   0.02    -0.01  -0.00   0.00     0.01   0.01  -0.01
     3   6     0.06   0.01  -0.01    -0.01  -0.03  -0.03     0.11   0.05  -0.07
     4   7     0.05   0.05   0.01    -0.06   0.10  -0.02     0.08  -0.05  -0.03
     5   6    -0.14  -0.07  -0.05     0.00   0.00  -0.02    -0.03  -0.03   0.12
     6   8     0.05  -0.12   0.01     0.00   0.00   0.02     0.00  -0.05  -0.02
     7   8    -0.09   0.13   0.03    -0.00  -0.00  -0.04    -0.05   0.04  -0.04
     8   1     0.05   0.12  -0.01    -0.03  -0.05  -0.03     0.09  -0.03  -0.06
     9   1     0.38   0.32  -0.08     0.08  -0.00   0.01    -0.23  -0.12   0.04
    10   1     0.09  -0.11   0.29     0.07  -0.05   0.06    -0.08   0.05  -0.12
    11   1     0.17   0.01  -0.13     0.08   0.00   0.85     0.16  -0.03   0.54
    12   1    -0.15   0.25  -0.02     0.33  -0.18   0.16    -0.26   0.45   0.09
    13   1    -0.21   0.24   0.04     0.16  -0.18  -0.02    -0.45   0.07   0.06
    14   1    -0.46  -0.09   0.18    -0.07   0.00   0.00     0.15   0.01  -0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    887.7760               957.1437              1053.2165
 Red. masses --      2.3326                 1.4011                 2.0106
 Frc consts  --      1.0832                 0.7563                 1.3141
 IR Inten    --     41.7592                46.4077                28.7162
 RamAct Fr= 1--      6.5049                 3.6276                 1.2539
  Dep-P Fr= 1--      0.0984                 0.3732                 0.3542
  Dep-U Fr= 1--      0.1791                 0.5435                 0.5231
 Alpha2 Fr= 1--      0.1143                 0.0295                 0.0109
 Beta2  Fr= 1--      0.1942                 0.3286                 0.1093
 AlphaG Fr= 1--      0.0824                 0.0807                -0.0192
 Gamma2 Fr= 1--     -0.2953                -0.6470                 0.7891
 Delta2 Fr= 1--      0.0556                 0.2373                 0.0904
 Raman1 Fr= 1--      26.020                 14.510                  5.015
 ROA1   Fr= 1--     -26.565                -54.518                 78.643
 CID1   Fr= 1--      -1.021                 -3.757                 15.680
 Raman2 Fr= 1--       2.330                  3.944                  1.312
 ROA2   Fr= 1--      -7.531                -17.426                 18.214
 CID2   Fr= 1--      -3.232                 -4.419                 13.884
 Raman3 Fr= 1--       4.661                  7.887                  2.624
 ROA3   Fr= 1--     -26.565                -54.518                 78.643
 CID3   Fr= 1--      -5.699                 -6.912                 29.974
 RC180  Fr= 1--      -0.642                  0.087                  0.046
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.10  -0.09     0.02  -0.11  -0.03    -0.09  -0.04  -0.13
     2  16     0.01  -0.01   0.00    -0.02   0.01   0.02    -0.01   0.02   0.02
     3   6    -0.06   0.02   0.17    -0.09  -0.03  -0.01     0.19  -0.02   0.08
     4   7     0.06  -0.15  -0.03     0.05   0.04   0.02    -0.07  -0.02   0.00
     5   6     0.01   0.02  -0.16     0.00   0.02  -0.03     0.04  -0.03   0.01
     6   8    -0.00   0.05   0.04     0.00   0.03   0.00    -0.00  -0.04  -0.00
     7   8     0.04  -0.04  -0.00     0.04  -0.03  -0.01    -0.06   0.06   0.01
     8   1    -0.02   0.09   0.17    -0.26   0.12  -0.04     0.31   0.21   0.08
     9   1     0.18   0.12  -0.07    -0.05   0.19  -0.04    -0.03   0.34  -0.14
    10   1    -0.19   0.11  -0.04     0.33  -0.24   0.26    -0.25  -0.11   0.17
    11   1     0.05  -0.02   0.57     0.02  -0.02   0.08    -0.05   0.05   0.05
    12   1    -0.11  -0.12  -0.17    -0.14   0.16  -0.07     0.17  -0.39  -0.08
    13   1    -0.39   0.36  -0.01    -0.26   0.31   0.04     0.15   0.19  -0.06
    14   1    -0.27  -0.04   0.09     0.59   0.10  -0.19     0.48   0.10  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1129.3687              1143.3226              1208.9876
 Red. masses --      2.6574                 1.3129                 2.2483
 Frc consts  --      1.9970                 1.0112                 1.9362
 IR Inten    --      5.0325                24.7985                18.7424
 RamAct Fr= 1--      1.5142                 3.9430                 3.6778
  Dep-P Fr= 1--      0.7412                 0.7411                 0.3611
  Dep-U Fr= 1--      0.8513                 0.8513                 0.5306
 Alpha2 Fr= 1--      0.0002                 0.0006                 0.0311
 Beta2  Fr= 1--      0.2148                 0.5594                 0.3253
 AlphaG Fr= 1--      0.0006                -0.0013                 0.0079
 Gamma2 Fr= 1--      0.6999                 1.1944                -0.2955
 Delta2 Fr= 1--     -0.1460                 0.9951                 0.0776
 Raman1 Fr= 1--       6.057                 15.772                 14.711
 ROA1   Fr= 1--      62.520                146.510                -25.888
 CID1   Fr= 1--      10.322                  9.289                 -1.760
 Raman2 Fr= 1--       2.578                  6.713                  3.903
 ROA2   Fr= 1--      17.966                 20.705                 -7.713
 CID2   Fr= 1--       6.968                  3.084                 -1.976
 Raman3 Fr= 1--       5.156                 13.427                  7.806
 ROA3   Fr= 1--      62.520                146.510                -25.888
 CID3   Fr= 1--      12.125                 10.912                 -3.316
 RC180  Fr= 1--       0.703                  0.703                  0.061
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.09   0.10     0.00  -0.06  -0.03    -0.01  -0.00  -0.00
     2  16    -0.00   0.00  -0.00    -0.01   0.01   0.02     0.00   0.00  -0.00
     3   6    -0.06   0.28  -0.05    -0.02   0.11   0.04    -0.03   0.00   0.06
     4   7    -0.03  -0.14  -0.03     0.01  -0.03  -0.05     0.01   0.02  -0.02
     5   6     0.06  -0.03   0.03    -0.05   0.01  -0.01     0.24  -0.08  -0.09
     6   8    -0.02  -0.05  -0.00     0.00   0.00   0.00    -0.03  -0.08   0.02
     7   8    -0.00   0.04  -0.01     0.03  -0.02  -0.00    -0.06   0.12   0.02
     8   1    -0.18   0.73  -0.09     0.03  -0.22   0.06    -0.49  -0.34   0.00
     9   1    -0.10  -0.06   0.09     0.58   0.01   0.02    -0.09  -0.00  -0.01
    10   1     0.05  -0.08   0.07    -0.39  -0.03   0.04    -0.05   0.00   0.01
    11   1    -0.08   0.06   0.05     0.07  -0.04  -0.04    -0.53   0.30   0.07
    12   1     0.08  -0.43  -0.17    -0.05   0.26   0.15    -0.12   0.28   0.08
    13   1     0.06   0.03  -0.08     0.07  -0.46  -0.01    -0.03  -0.23   0.02
    14   1    -0.01   0.01  -0.01     0.31   0.07  -0.12     0.02   0.00  -0.00
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1236.3112              1279.3123              1329.0466
 Red. masses --      1.4469                 1.3165                 1.3276
 Frc consts  --      1.3030                 1.2695                 1.3816
 IR Inten    --      5.9660                 0.4208                 5.7586
 RamAct Fr= 1--      4.5404                 1.5758                 3.5904
  Dep-P Fr= 1--      0.3918                 0.7440                 0.5552
  Dep-U Fr= 1--      0.5630                 0.8532                 0.7140
 Alpha2 Fr= 1--      0.0346                 0.0002                 0.0133
 Beta2  Fr= 1--      0.4260                 0.2241                 0.4273
 AlphaG Fr= 1--      0.0474                -0.0022                -0.0269
 Gamma2 Fr= 1--      0.1323                -1.8332                 0.1288
 Delta2 Fr= 1--     -0.9711                -0.0997                 0.0441
 Raman1 Fr= 1--      18.162                  6.303                 14.362
 ROA1   Fr= 1--     -18.377               -179.178                 13.779
 CID1   Fr= 1--      -1.012                -28.426                  0.959
 Raman2 Fr= 1--       5.112                  2.689                  5.127
 ROA2   Fr= 1--      10.943                -43.200                  2.740
 CID2   Fr= 1--       2.140                -16.065                  0.534
 Raman3 Fr= 1--      10.225                  5.378                 10.254
 ROA3   Fr= 1--     -18.377               -179.178                 13.779
 CID3   Fr= 1--      -1.797                -33.316                  1.344
 RC180  Fr= 1--       0.126                  0.706                  0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01   0.00    -0.09  -0.00  -0.04     0.10  -0.02  -0.04
     2  16     0.00  -0.00   0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   6    -0.11  -0.02  -0.09     0.03   0.08   0.08    -0.11   0.02   0.04
     4   7     0.02   0.00   0.03    -0.01  -0.02  -0.05     0.01   0.00  -0.02
     5   6     0.09  -0.02   0.05    -0.02  -0.00   0.00     0.00   0.01   0.03
     6   8    -0.01  -0.02  -0.01    -0.00  -0.01   0.00    -0.00  -0.01  -0.00
     7   8    -0.01   0.03  -0.01     0.01  -0.00   0.00     0.02   0.00  -0.01
     8   1     0.62  -0.01   0.02     0.18  -0.02   0.12     0.64  -0.11   0.16
     9   1     0.63  -0.08   0.05    -0.04   0.12  -0.04    -0.61   0.10  -0.10
    10   1     0.17   0.00  -0.06     0.85  -0.15   0.11    -0.23  -0.03   0.11
    11   1    -0.22   0.12   0.06     0.00  -0.00  -0.01    -0.14   0.07   0.03
    12   1    -0.03  -0.10  -0.11    -0.01   0.15   0.10    -0.04   0.11   0.03
    13   1    -0.09   0.21   0.02     0.08  -0.29  -0.03    -0.01  -0.15   0.01
    14   1    -0.00   0.00  -0.00    -0.16  -0.04   0.06     0.03   0.00  -0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1400.4381              1404.0352              1468.2333
 Red. masses --      1.2947                 1.6000                 1.0889
 Frc consts  --      1.4960                 1.8584                 1.3830
 IR Inten    --     95.4773               361.7859                 6.2233
 RamAct Fr= 1--      4.9912                 4.4685                 4.1235
  Dep-P Fr= 1--      0.7338                 0.1207                 0.7080
  Dep-U Fr= 1--      0.8464                 0.2153                 0.8291
 Alpha2 Fr= 1--      0.0014                 0.0744                 0.0030
 Beta2  Fr= 1--      0.7041                 0.1604                 0.5698
 AlphaG Fr= 1--     -0.0007                -0.0767                 0.0052
 Gamma2 Fr= 1--      1.5791                -0.2466                 0.2881
 Delta2 Fr= 1--     -0.9906                -0.0551                -0.6183
 Raman1 Fr= 1--      19.965                 17.874                 16.494
 ROA1   Fr= 1--     119.894                -25.441                  7.875
 CID1   Fr= 1--       6.005                 -1.423                  0.477
 Raman2 Fr= 1--       8.449                  1.925                  6.837
 ROA2   Fr= 1--      45.822                 -5.479                 11.862
 CID2   Fr= 1--       5.423                 -2.847                  1.735
 Raman3 Fr= 1--      16.899                  3.849                 13.674
 ROA3   Fr= 1--     119.894                -25.441                  7.875
 CID3   Fr= 1--       7.095                 -6.609                  0.576
 RC180  Fr= 1--       0.693                 -0.569                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03   0.01    -0.00   0.01  -0.00    -0.01   0.06  -0.05
     2  16     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.11   0.03    -0.06  -0.06   0.03     0.02   0.02  -0.01
     4   7     0.01   0.01  -0.05     0.02   0.02  -0.04    -0.00  -0.00   0.01
     5   6    -0.05   0.02   0.01     0.14  -0.05  -0.01    -0.01   0.00  -0.00
     6   8     0.01  -0.02  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
     7   8     0.05   0.00  -0.01    -0.11   0.01   0.01     0.00  -0.00  -0.00
     8   1    -0.01   0.76  -0.01     0.10   0.46   0.04    -0.02  -0.10  -0.01
     9   1     0.09  -0.13   0.02     0.02  -0.10   0.01    -0.02  -0.69  -0.01
    10   1    -0.08   0.02   0.04    -0.05  -0.00   0.07    -0.04  -0.17   0.69
    11   1    -0.44   0.22   0.05     0.70  -0.35  -0.10    -0.01   0.01   0.00
    12   1    -0.05   0.26   0.12    -0.02   0.16   0.06     0.01  -0.06  -0.03
    13   1     0.05  -0.20  -0.03     0.02  -0.24  -0.00    -0.02   0.04   0.00
    14   1     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.01  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1660.9807              1837.5331              2668.7949
 Red. masses --      1.0918                 9.9012                 1.0385
 Frc consts  --      1.7748                19.6974                 4.3579
 IR Inten    --     28.2652               302.8040                 5.5651
 RamAct Fr= 1--      2.5070                13.0699               103.7772
  Dep-P Fr= 1--      0.7112                 0.3760                 0.1840
  Dep-U Fr= 1--      0.8312                 0.5465                 0.3108
 Alpha2 Fr= 1--      0.0017                 0.1053                 1.4699
 Beta2  Fr= 1--      0.3473                 1.1905                 5.3759
 AlphaG Fr= 1--      0.0022                 0.1295                -1.2129
 Gamma2 Fr= 1--      0.0366                 0.3998                -4.6024
 Delta2 Fr= 1--     -0.0712                 0.8215                -0.0507
 Raman1 Fr= 1--      10.028                 52.279                415.109
 ROA1   Fr= 1--       1.240                 64.670               -443.455
 CID1   Fr= 1--       0.124                  1.237                 -1.068
 Raman2 Fr= 1--       4.168                 14.286                 64.511
 ROA2   Fr= 1--       1.449                  3.023               -110.052
 CID2   Fr= 1--       0.348                  0.212                 -1.706
 Raman3 Fr= 1--       8.335                 28.572                129.022
 ROA3   Fr= 1--       1.240                 64.670               -443.455
 CID3   Fr= 1--       0.149                  2.263                 -3.437
 RC180  Fr= 1--       0.662                  0.093                 -0.378
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     2  16     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.03  -0.02
     3   6    -0.03   0.01  -0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
     4   7    -0.03  -0.07  -0.02    -0.00  -0.01   0.00     0.00   0.00   0.00
     5   6     0.01  -0.00  -0.00     0.14   0.71  -0.03     0.00  -0.00  -0.00
     6   8    -0.00   0.00   0.00    -0.09  -0.44   0.02    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.04  -0.06   0.01    -0.00   0.00   0.00
     8   1     0.02  -0.04  -0.00    -0.01   0.02  -0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.02  -0.00     0.03  -0.00  -0.01    -0.00   0.00  -0.01
    10   1    -0.01  -0.00   0.01     0.05   0.01   0.00    -0.00  -0.02  -0.00
    11   1     0.02  -0.01  -0.02     0.47  -0.18  -0.07    -0.00   0.00  -0.00
    12   1     0.18   0.34   0.58     0.01  -0.03   0.00    -0.00   0.00   0.00
    13   1     0.40   0.56  -0.17    -0.01   0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00    -0.02   0.00   0.00     0.05   0.87   0.50
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3048.2506              3064.9254              3130.0591
 Red. masses --      1.0798                 1.0684                 1.0992
 Frc consts  --      5.9113                 5.9131                 6.3450
 IR Inten    --      3.8345                10.1433                 2.0962
 RamAct Fr= 1--    126.8131                32.0439                45.2186
  Dep-P Fr= 1--      0.1282                 0.0579                 0.4465
  Dep-U Fr= 1--      0.2272                 0.1095                 0.6173
 Alpha2 Fr= 1--      2.0710                 0.6211                 0.2812
 Beta2  Fr= 1--      4.8026                 0.5848                 4.6523
 AlphaG Fr= 1--     -1.1231                -0.0666                -0.1832
 Gamma2 Fr= 1--      3.4873                -1.8122                -3.4422
 Delta2 Fr= 1--      3.4502                -3.2384                -2.8765
 Raman1 Fr= 1--     507.253                128.176                180.874
 ROA1   Fr= 1--     445.185               -277.603               -422.495
 CID1   Fr= 1--       0.878                 -2.166                 -2.336
 Raman2 Fr= 1--      57.631                  7.017                 55.828
 ROA2   Fr= 1--      56.093                -17.587                -59.600
 CID2   Fr= 1--       0.973                 -2.506                 -1.068
 Raman3 Fr= 1--     115.262                 14.034                111.656
 ROA3   Fr= 1--     445.185               -277.603               -422.495
 CID3   Fr= 1--       3.862                -19.780                 -3.784
 RC180  Fr= 1--      -0.546                 -0.781                  0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.03     0.01   0.03  -0.06    -0.01  -0.07  -0.05
     2  16    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.01  -0.00  -0.07     0.01  -0.00  -0.04     0.00  -0.00  -0.01
     4   7     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   1    -0.13   0.04   0.88    -0.06   0.02   0.43    -0.01   0.00   0.07
     9   1     0.04  -0.02  -0.43    -0.06   0.04   0.80    -0.03   0.00   0.38
    10   1     0.01   0.11   0.04    -0.04  -0.36  -0.12     0.11   0.87   0.25
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   1     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.02    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    14   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3476.7495              3494.3801              3582.3460
 Red. masses --      1.0624                 1.0532                 1.0918
 Frc consts  --      7.5662                 7.5773                 8.2554
 IR Inten    --    208.7248                15.7905                 9.4150
 RamAct Fr= 1--    101.3625                45.9653                41.9300
  Dep-P Fr= 1--      0.0507                 0.1272                 0.5249
  Dep-U Fr= 1--      0.0966                 0.2257                 0.6884
 Alpha2 Fr= 1--      1.9987                 0.7525                 0.1834
 Beta2  Fr= 1--      1.6314                 1.7287                 4.8110
 AlphaG Fr= 1--      0.2404                 0.0487                -0.0341
 Gamma2 Fr= 1--      1.9042                -2.8130                 0.9384
 Delta2 Fr= 1--      1.9847                -1.7487                 0.0206
 Raman1 Fr= 1--     405.450                183.861                167.720
 ROA1   Fr= 1--     246.315               -326.010                 90.748
 CID1   Fr= 1--       0.608                 -1.773                  0.541
 Raman2 Fr= 1--      19.577                 20.745                 57.732
 ROA2   Fr= 1--      29.824                -53.523                 22.358
 CID2   Fr= 1--       1.523                 -2.580                  0.387
 Raman3 Fr= 1--      39.155                 41.490                115.463
 ROA3   Fr= 1--     246.315               -326.010                 90.748
 CID3   Fr= 1--       6.291                 -7.858                  0.786
 RC180  Fr= 1--      -0.807                 -0.549                  0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     2  16    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   7    -0.01  -0.01  -0.01    -0.03  -0.03  -0.04    -0.03  -0.03   0.07
     5   6     0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.02  -0.05   0.00     0.01   0.02  -0.00     0.00   0.00  -0.00
     8   1    -0.00  -0.00   0.00    -0.00   0.00   0.01     0.00  -0.00  -0.01
     9   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1     0.36   0.86  -0.04    -0.14  -0.32   0.01    -0.01  -0.03   0.00
    12   1     0.13   0.11  -0.12     0.28   0.24  -0.27     0.57   0.45  -0.47
    13   1     0.05   0.04   0.28     0.15   0.10   0.79    -0.12  -0.07  -0.47
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number 16 and mass  31.97207
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  7 and mass  14.00307
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   121.01975 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   401.395371542.154011879.83941
           X            0.99998  -0.00339   0.00585
           Y            0.00338   0.99999   0.00169
           Z           -0.00585  -0.00167   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.21578     0.05616     0.04608
 Rotational constants (GHZ):           4.49617     1.17027     0.96005
 Zero-point vibrational energy     283667.1 (Joules/Mol)
                                   67.79806 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    101.65   134.27   257.54   318.87   382.98
          (Kelvin)            471.04   510.91   593.67   749.36   857.62
                             1002.58  1063.24  1131.27  1206.71  1238.24
                             1277.31  1377.12  1515.34  1624.91  1644.99
                             1739.46  1778.78  1840.65  1912.20  2014.92
                             2020.09  2112.46  2389.78  2643.80  3839.80
                             4385.75  4409.74  4503.46  5002.27  5027.63
                             5154.20
 
 Zero-point correction=                           0.108043 (Hartree/Particle)
 Thermal correction to Energy=                    0.116088
 Thermal correction to Enthalpy=                  0.117032
 Thermal correction to Gibbs Free Energy=         0.074926
 Sum of electronic and zero-point Energies=           -722.017911
 Sum of electronic and thermal Energies=              -722.009867
 Sum of electronic and thermal Enthalpies=            -722.008922
 Sum of electronic and thermal Free Energies=         -722.051029
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   72.846             28.378             88.620
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.287
 Rotational               0.889              2.981             28.544
 Vibrational             71.069             22.417             19.789
 Vibration     1          0.598              1.968              4.135
 Vibration     2          0.602              1.954              3.589
 Vibration     3          0.629              1.868              2.339
 Vibration     4          0.648              1.808              1.946
 Vibration     5          0.672              1.735              1.621
 Vibration     6          0.711              1.621              1.273
 Vibration     7          0.731              1.565              1.143
 Vibration     8          0.776              1.443              0.917
 Vibration     9          0.876              1.204              0.608
 Vibration    10          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.343990D-34        -34.463454        -79.355035
 Total V=0       0.170952D+16         15.232873         35.074987
 Vib (Bot)       0.170236D-47        -47.768948       -109.992068
 Vib (Bot)    1  0.291886D+01          0.465214          1.071195
 Vib (Bot)    2  0.220192D+01          0.342801          0.789329
 Vib (Bot)    3  0.112248D+01          0.050177          0.115538
 Vib (Bot)    4  0.891890D+00         -0.049689         -0.114413
 Vib (Bot)    5  0.727456D+00         -0.138193         -0.318201
 Vib (Bot)    6  0.571632D+00         -0.242883         -0.559259
 Vib (Bot)    7  0.517836D+00         -0.285808         -0.658096
 Vib (Bot)    8  0.427932D+00         -0.368626         -0.848792
 Vib (Bot)    9  0.309677D+00         -0.509091         -1.172225
 Vib (Bot)   10  0.251514D+00         -0.599437         -1.380256
 Vib (V=0)       0.846017D+02          1.927379          4.437954
 Vib (V=0)    1  0.346138D+01          0.539249          1.241667
 Vib (V=0)    2  0.275797D+01          0.440590          1.014496
 Vib (V=0)    3  0.172880D+01          0.237745          0.547429
 Vib (V=0)    4  0.152248D+01          0.182552          0.420341
 Vib (V=0)    5  0.138272D+01          0.140734          0.324052
 Vib (V=0)    6  0.125945D+01          0.100181          0.230675
 Vib (V=0)    7  0.121983D+01          0.086299          0.198711
 Vib (V=0)    8  0.115812D+01          0.063755          0.146800
 Vib (V=0)    9  0.108813D+01          0.036682          0.084463
 Vib (V=0)   10  0.105970D+01          0.025181          0.057982
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523285D+08          7.718738         17.773052
 Rotational      0.386150D+06          5.586756         12.863981
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33            333             2                            1      1     1 11 1 1 1111  1                                     
     5  44            100             6                            8      6     4 44 3 2 2211  0   9 888 77 6  5  5   4 33 2 21      
     8  97            364             6                            3      6     6 00 2 7 3042  5   5 863 83 9  9  2   1 52 6 27  97  
     2  47            058             9                            8      1     8 40 9 9 6939  3   7 819 69 7  6  1   3 57 6 29  31  
 
     X  XX            XXX             X                            X      X     X XX X X XXXX  X   X XXX XX X  X  X   X XX X XX  XX  
         X                                                         X      X       XX           X   X XXX                             
         X                                                         X              XX               X  XX                             
         X                                                         X              XX                  XX                             
         X                                                         X              XX                   X                             
         X                                                         X              X                    X                             
         X                                                         X              X                    X                             
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
         X                                                         X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                   X              X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
                                                                                  X                                                  
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000022119   -0.000000087    0.000005362
      2       16           0.000006556   -0.000001410   -0.000005605
      3        6          -0.000001517    0.000008395    0.000001420
      4        7          -0.000007511   -0.000003858   -0.000002947
      5        6           0.000011171    0.000017334    0.000002439
      6        8          -0.000005836   -0.000007661   -0.000000824
      7        8          -0.000000911   -0.000000662    0.000000780
      8        1           0.000002483   -0.000003618   -0.000000152
      9        1           0.000003703   -0.000001408   -0.000001393
     10        1           0.000006300   -0.000003366   -0.000000969
     11        1           0.000003689   -0.000005958   -0.000001285
     12        1           0.000004240    0.000001062    0.000000317
     13        1           0.000002594    0.000002197    0.000001761
     14        1          -0.000002842   -0.000000960    0.000001097
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000022119 RMS     0.000005895
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.915790D+02  0.601519D+00 -0.723666D+00
      2   0.601519D+00  0.773676D+02 -0.700035D+00
      3  -0.723666D+00 -0.700035D+00  0.606041D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.238724D+01 -0.321835D+01 -0.270706D+01
      2   0.250115D+01 -0.102422D+01  0.329630D+02
      3  -0.107671D+01 -0.135129D+02  0.347612D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.877373D+02 -0.486996D+01 -0.122769D+01
      2  -0.531216D+02  0.699351D+01  0.175049D+01
      3  -0.346157D+02 -0.212355D+01 -0.522801D+00
      4   0.584454D+01  0.127105D+02 -0.153066D+01
      5   0.343237D+01 -0.358634D+01  0.619355D+02
      6   0.115387D+01  0.534735D+01  0.112565D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.808798D+01 -0.254853D+01  0.165235D+01 -0.386249D+01  0.104836D+01
      2  -0.254853D+01  0.466906D+00  0.477306D+00  0.104836D+01  0.321041D+01
      3   0.165235D+01  0.477306D+00 -0.702057D+00 -0.123070D+00  0.123303D+01
                 6             7             8             9            10 
      1  -0.123070D+00  0.361704D+01 -0.501172D+00  0.162931D+01  0.164539D+02
      2   0.123303D+01 -0.501172D+00  0.143219D+01  0.746289D+00  0.376122D+00
      3  -0.331430D+00  0.162931D+01  0.746289D+00 -0.602546D+01 -0.215566D+01
                11            12            13            14            15 
      1   0.376122D+00 -0.215566D+01 -0.248719D+00  0.232933D+01 -0.176727D+00
      2   0.935203D+00 -0.657266D+00  0.232933D+01 -0.525265D+01 -0.330681D+01
      3  -0.657266D+00  0.246869D+01 -0.176727D+00 -0.330681D+01 -0.234633D+01
                16            17            18            19            20 
      1  -0.394401D+01 -0.432911D-01  0.377092D+01  0.323330D+01  0.277417D+01
      2  -0.432911D-01 -0.357765D+01 -0.161447D+01  0.277417D+01 -0.102108D+01
      3   0.377092D+01 -0.161447D+01 -0.180507D+01 -0.884222D-01  0.509415D+00
                21            22            23            24            25 
      1  -0.884222D-01  0.497670D+01  0.150701D+00 -0.881588D-01 -0.197258D+01
      2   0.509415D+00  0.150701D+00 -0.243844D+01 -0.807120D+00  0.121067D+01
      3  -0.808660D+00 -0.881588D-01 -0.807120D+00  0.830106D+00 -0.703039D+00
                26            27            28            29            30 
      1   0.121067D+01 -0.703039D+00 -0.206109D+01 -0.161985D+01  0.104133D+01
      2  -0.112103D+01  0.246267D+00 -0.161985D+01 -0.221687D+01  0.802134D-01
      3   0.246267D+00  0.561012D+01  0.104133D+01  0.802134D-01 -0.139281D+01
                31            32            33            34            35 
      1  -0.172437D+01 -0.243624D+01  0.417868D+00  0.163626D+01  0.130080D+00
      2  -0.243624D+01  0.408291D+01  0.618505D+00  0.130080D+00  0.644382D+00
      3   0.417868D+00  0.618505D+00 -0.107378D+01 -0.159456D+01 -0.104066D+01
                36            37            38            39            40 
      1  -0.159456D+01 -0.422560D+01 -0.223242D+01 -0.233927D+00 -0.217469D+01
      2  -0.104066D+01 -0.223242D+01  0.988171D+00  0.350210D-01  0.264866D+01
      3  -0.384193D+01 -0.233927D+00  0.350210D-01 -0.492107D+00 -0.971159D-01
                41            42            43            44            45 
      1   0.264866D+01 -0.971159D-01  0.339726D+00 -0.140410D+00 -0.247701D+00
      2   0.640155D+01 -0.449733D-01 -0.140410D+00  0.485327D+00  0.294519D+00
      3  -0.449733D-01  0.399101D+00 -0.247701D+00  0.294519D+00 -0.225242D+00
                46            47            48            49            50 
      1  -0.173620D+01 -0.317444D+01  0.756575D-01 -0.412884D+01 -0.314155D+01
      2  -0.317444D+01 -0.247179D+01 -0.164655D+00 -0.314155D+01 -0.131365D+02
      3   0.756575D-01 -0.164655D+00 -0.106357D+00  0.830298D-02  0.449896D-01
                51            52            53            54            55 
      1   0.830298D-02 -0.109261D+00  0.270577D-01 -0.109681D+01 -0.877075D+01
      2   0.449896D-01  0.270577D-01  0.148642D+00 -0.313753D+01  0.181797D+01
      3  -0.238357D+01 -0.109681D+01 -0.313753D+01  0.218729D+00  0.244228D+00
                56            57            58            59            60 
      1   0.181797D+01  0.244228D+00 -0.144957D+01 -0.390294D+01 -0.119582D+00
      2  -0.223041D+01 -0.230246D+00 -0.390294D+01 -0.136038D+01  0.162016D+00
      3  -0.230246D+00 -0.855609D+00 -0.119582D+00  0.162016D+00  0.467282D+00
                61            62            63            64            65 
      1   0.115788D+01 -0.273482D-02 -0.192407D+01  0.438227D+00 -0.526810D+00
      2  -0.273482D-02  0.742226D-01  0.109622D+01 -0.526810D+00  0.330257D+00
      3  -0.192407D+01  0.109622D+01  0.433637D+00 -0.908930D+00 -0.597112D-01
                66            67            68            69            70 
      1  -0.908930D+00 -0.113710D+01  0.998442D-01  0.837908D-01 -0.187991D+01
      2  -0.597112D-01  0.998442D-01  0.478084D+00 -0.946152D+00 -0.181299D+00
      3   0.886590D+00  0.837908D-01 -0.946152D+00 -0.319144D+00  0.164423D+00
                71            72            73            74            75 
      1  -0.181299D+00  0.164423D+00  0.405205D-01  0.125762D+00  0.879712D+00
      2  -0.135438D+01 -0.365938D-01  0.125762D+00 -0.762524D-01 -0.516961D-01
      3  -0.365938D-01 -0.722218D+01  0.879712D+00 -0.516961D-01 -0.564221D+00
                76            77            78            79            80 
      1   0.962019D+00 -0.278596D+00 -0.135904D+00  0.278046D+01  0.185050D+00
      2  -0.278596D+00 -0.619814D+00  0.825478D+00  0.185050D+00  0.117410D+01
      3  -0.135904D+00  0.825478D+00  0.282250D+00 -0.163907D+01 -0.124502D+01
                81            82            83            84            85 
      1  -0.163907D+01 -0.243311D+00 -0.582014D+00 -0.542478D+00 -0.190704D+01
      2  -0.124502D+01 -0.582014D+00 -0.645917D-01 -0.323198D-01 -0.648440D+00
      3   0.753780D+01 -0.542478D+00 -0.323198D-01 -0.317911D-01 -0.112557D+00
                86            87            88            89            90 
      1  -0.648440D+00 -0.112557D+00 -0.172641D+01 -0.222531D+00 -0.270508D+00
      2  -0.746823D+01 -0.618347D+00 -0.222531D+00 -0.140678D+01 -0.110339D+01
      3  -0.618347D+00 -0.103596D+01 -0.270508D+00 -0.110339D+01 -0.133387D+00
                91            92            93            94            95 
      1   0.198078D+01  0.209868D+01 -0.774014D-01  0.496055D+01  0.117491D+00
      2   0.209868D+01  0.506545D+00  0.137132D+00  0.117491D+00  0.486965D+01
      3  -0.774014D-01  0.137132D+00 -0.422396D+00  0.159519D-01  0.374491D-01
                96            97            98            99           100 
      1   0.159519D-01 -0.295345D+00 -0.605364D-01 -0.646192D+00  0.250462D+01
      2   0.374491D-01 -0.605364D-01 -0.164039D+00  0.584309D+00  0.177429D+01
      3   0.861360D+00 -0.646192D+00  0.584309D+00 -0.326834D-01 -0.872010D+00
               101           102           103           104           105 
      1   0.177429D+01 -0.872010D+00  0.259441D+01  0.210241D+01 -0.735849D+00
      2   0.313966D+01 -0.843394D+00  0.210241D+01  0.347919D+01 -0.883762D+00
      3  -0.843394D+00  0.111322D+01 -0.735849D+00 -0.883762D+00  0.113269D+01
               106           107           108           109           110 
      1  -0.231230D+01 -0.101369D+01  0.951640D+00 -0.275386D+00  0.554712D+00
      2  -0.101369D+01 -0.205310D+01  0.138969D+01  0.554712D+00  0.374783D+00
      3   0.951640D+00  0.138969D+01 -0.146310D+01  0.388442D+00  0.600357D+00
               111           112           113           114           115 
      1   0.388442D+00  0.612994D+00  0.201531D+00  0.395023D+00  0.159214D+01
      2   0.600357D+00  0.201531D+00  0.133824D+01  0.806765D+00  0.228081D+00
      3   0.547206D+00  0.395023D+00  0.806765D+00  0.100278D+01  0.977050D+00
               116           117           118           119           120 
      1   0.228081D+00  0.977050D+00  0.748924D+00  0.116236D+01  0.597098D+00
      2   0.235977D+01  0.200686D+01  0.116236D+01  0.133948D+01  0.199843D+00
      3   0.200686D+01  0.586078D+01  0.597098D+00  0.199843D+00  0.360297D+00
               121           122           123           124           125 
      1   0.252614D+01  0.170944D+01  0.668028D+00  0.111630D+01  0.384728D+00
      2   0.170944D+01  0.641602D+01  0.287893D+01  0.384728D+00  0.335833D+01
      3   0.668028D+00  0.287893D+01  0.251465D+01  0.628607D+00  0.181350D+01
               126 
      1   0.628607D+00
      2   0.181350D+01
      3   0.108797D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.161133D+01 -0.161187D+01  0.881654D+00 -0.879014D+00  0.580533D+01
      2   0.429866D+01  0.177172D+01 -0.268174D+01 -0.226527D+00  0.109889D+01
      3   0.487332D+01  0.273394D+01 -0.293148D+01  0.121131D+02 -0.372452D+01
                 6             7             8             9            10 
      1  -0.227427D+01  0.268800D+01  0.317795D+01 -0.469981D+01 -0.796020D-01
      2  -0.183095D+01 -0.995178D+01 -0.263863D+00 -0.221306D+01 -0.940424D+01
      3  -0.227763D+01 -0.171602D+01 -0.101259D+01 -0.134359D+01 -0.906228D+01
                11            12            13            14            15 
      1   0.204853D+01  0.930216D+00  0.234260D+01 -0.105172D+01 -0.572023D+01
      2  -0.194237D+01  0.124167D+02  0.363492D+00 -0.998937D+01 -0.780963D+01
      3  -0.811604D+01  0.263306D+01  0.913485D+01  0.163895D+02  0.996733D+01
                16            17            18            19            20 
      1   0.336601D+01  0.961867D+01  0.475651D+00 -0.216849D+01  0.749927D+00
      2  -0.561757D+01 -0.475472D+01 -0.384923D+01  0.357611D+01 -0.120946D+01
      3  -0.194431D+01  0.108491D+02  0.252158D+01  0.488844D+01 -0.654739D+01
                21            22            23            24            25 
      1  -0.852551D+00  0.114256D+01  0.191796D+00 -0.233152D+00 -0.219317D+01
      2   0.333329D+01  0.134681D+01 -0.276534D+01  0.350875D+01 -0.278831D+01
      3   0.627777D+00 -0.303490D+01 -0.297023D+01  0.510083D+00  0.111680D+01
                26            27            28            29            30 
      1   0.410524D+01 -0.166000D+00 -0.305533D+01 -0.842740D+00  0.465055D+01
      2   0.329105D+00 -0.441473D+01 -0.178065D+01  0.201808D+01  0.533126D+01
      3   0.169218D+01 -0.118357D+00 -0.698208D+01 -0.115745D+02  0.156628D+01
                31            32            33            34            35 
      1  -0.234731D+01 -0.327178D+01 -0.226512D+01  0.457027D+01  0.673341D+01
      2   0.318055D+00  0.110674D+01 -0.133559D+01 -0.171991D+01 -0.335328D+00
      3   0.462931D+00  0.707007D-01  0.982260D+00  0.492186D+01  0.198934D+00
                36            37            38            39            40 
      1   0.811988D+01  0.132811D+01  0.746570D+00  0.498444D-01  0.172638D+01
      2   0.337641D+01 -0.387639D+01  0.128917D+00 -0.632838D+01 -0.143704D+01
      3  -0.450202D+01 -0.691952D+01  0.140782D+01 -0.272839D+00  0.206783D+01
                41            42            43            44            45 
      1   0.286313D+00  0.925586D+01  0.353796D+00  0.958564D+01 -0.321831D+00
      2   0.179472D+01 -0.249283D+01 -0.188520D+02 -0.217978D+01  0.353135D+01
      3   0.123264D+02 -0.143844D+01  0.326819D+01 -0.177712D+01  0.129290D+01
                46            47            48            49            50 
      1   0.100911D+00  0.547770D-02 -0.258534D+01 -0.692021D-01  0.923619D+00
      2  -0.132162D+00 -0.955183D-02  0.536664D+01 -0.985701D+00 -0.108885D+01
      3  -0.154319D+01 -0.636177D+01 -0.202557D-01  0.955818D+01 -0.230769D+02
                51            52            53            54            55 
      1  -0.109970D+02 -0.608084D+00  0.721879D+00  0.548142D+00 -0.911127D+00
      2   0.563401D+01  0.327668D+01  0.586562D+01 -0.114120D+01 -0.269551D+00
      3   0.645816D+00 -0.193447D+01  0.519393D+00 -0.557212D+01 -0.413779D+01
                56            57            58            59            60 
      1  -0.265250D+00  0.270289D+01  0.175710D+00 -0.283643D+00 -0.362706D+01
      2  -0.202270D+00  0.954280D+01  0.113517D+01 -0.130740D+00 -0.164287D+01
      3  -0.171086D+02  0.185274D+00 -0.137985D+02 -0.953802D+01 -0.151755D+00
                61            62            63            64            65 
      1   0.365510D+00  0.203754D+01 -0.328553D+00  0.452299D+00 -0.820807D+00
      2   0.646407D+01 -0.104712D+01 -0.211067D+01  0.199263D+01 -0.212447D+00
      3  -0.494163D+00  0.190743D+01  0.206760D+01  0.410603D+00 -0.299379D+00
                66            67            68            69            70 
      1   0.146582D+00 -0.469741D+00 -0.430851D+00 -0.392223D+00  0.240088D+00
      2   0.180008D+00 -0.289722D+00  0.633367D+00 -0.178768D+00 -0.298238D+01
      3  -0.159946D+00  0.186647D+01  0.110132D+00 -0.397989D-01 -0.396639D+00
                71            72            73            74            75 
      1   0.261704D+01  0.123638D+01  0.718266D+00 -0.839897D+00 -0.844092D+00
      2  -0.126415D-01  0.259670D+01  0.195129D+01 -0.412354D+00  0.204697D+01
      3  -0.482033D+00  0.842849D+00  0.250804D+00 -0.193994D+01 -0.313806D+00
                76            77            78            79            80 
      1  -0.562217D+00  0.248133D+00 -0.202309D+00 -0.212079D+01  0.183554D+01
      2  -0.544841D+00  0.647642D+00  0.229783D+00 -0.464149D+01 -0.737909D+00
      3   0.272495D+00  0.699094D+00 -0.200169D+00 -0.272797D+01 -0.456809D+00
                81            82            83            84            85 
      1   0.668388D+01 -0.785235D+00 -0.867077D-01 -0.470807D+00 -0.160079D+00
      2   0.478161D+01 -0.388387D+00  0.158289D+00  0.108500D+01 -0.908628D-01
      3   0.247875D+01  0.252986D+01  0.184576D+00  0.822108D+00  0.614939D+01
                86            87            88            89            90 
      1  -0.345345D+01 -0.316727D+01 -0.378804D+00 -0.917729D+00 -0.270822D+00
      2  -0.121269D+00 -0.683652D+00 -0.120218D+01 -0.770785D+00 -0.326406D+00
      3   0.865623D+01  0.875716D+00  0.268239D+01  0.193099D+01  0.134246D+01
                91            92            93            94            95 
      1   0.513306D+00  0.781015D-01  0.885460D+00 -0.911454D-01  0.393661D+00
      2  -0.997454D-01 -0.493296D+00 -0.114683D+01 -0.135827D+00 -0.380775D+00
      3   0.100229D+02  0.933904D+01  0.182083D+00  0.127265D+02  0.183655D+02
                96            97            98            99           100 
      1  -0.113683D+01  0.927104D+00  0.104074D+01  0.283969D+00  0.228051D+01
      2  -0.233351D+01 -0.162778D+01 -0.192132D+01  0.457159D-01  0.219683D+01
      3   0.607778D+00 -0.346119D+00 -0.931441D+00  0.363902D+00  0.952039D+01
               101           102           103           104           105 
      1   0.169931D+01 -0.347445D+01  0.160700D+01  0.187502D+01 -0.257703D+01
      2  -0.319486D+00 -0.211174D-01  0.153321D+00  0.662732D+00  0.599445D+00
      3   0.304877D+01 -0.220982D+01  0.783511D+01  0.496633D+01 -0.207749D+01
               106           107           108           109           110 
      1  -0.278271D+01 -0.126383D+01  0.241669D+01 -0.631130D+00 -0.439111D+00
      2  -0.220710D+01  0.383756D+00 -0.599621D+00 -0.114643D+01  0.373550D-01
      3  -0.679148D+01 -0.256807D+01  0.227369D+01  0.651306D+00  0.998336D+00
               111           112           113           114           115 
      1  -0.194819D+01 -0.554435D+00 -0.171977D+01 -0.264202D+01 -0.302555D+01
      2  -0.527386D+00 -0.175510D+00 -0.623427D+00  0.620226D-01 -0.340337D+01
      3   0.604397D+00  0.218311D+01  0.585282D+00  0.130213D+01  0.370247D+01
               116           117           118           119           120 
      1  -0.220512D+01 -0.124315D+02  0.626188D+00 -0.421532D+00 -0.717784D-01
      2  -0.580313D+00 -0.273688D+01  0.272155D+01  0.337251D+00  0.170290D+01
      3   0.155282D+01  0.377621D+01 -0.480216D+01 -0.444727D+01 -0.362182D+00
               121           122           123           124           125 
      1  -0.150061D+01  0.836967D+00 -0.432146D+01 -0.110224D+01  0.159551D+01
      2   0.569174D+00  0.915568D+01  0.827379D+01 -0.533096D+00  0.571963D+01
      3  -0.175032D+01 -0.225539D+02 -0.907029D+01  0.659464D+00 -0.114227D+02
               126 
      1  -0.189675D+01
      2   0.342446D+01
      3  -0.542385D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.444004D+02 -0.547559D+01  0.523053D+01 -0.156544D+02  0.117118D+02
      2   0.241044D+02  0.310154D+01 -0.417376D+01  0.965525D+01 -0.134669D+02
      3   0.202960D+02  0.237406D+01 -0.105677D+01  0.599918D+01  0.175512D+01
      4   0.289903D+00 -0.501030D+01  0.238285D+01  0.826827D+01  0.122476D+01
      5   0.733385D+01  0.362256D+01 -0.112296D+02 -0.750746D+00  0.202848D+01
      6  -0.435647D+01  0.137388D+01 -0.901199D+00  0.128781D+01 -0.384742D+01
                 6             7             8             9            10 
      1   0.109723D+01  0.124369D+02  0.702450D-01  0.145670D+02  0.988070D+02
      2  -0.287675D+01 -0.999521D+01 -0.275334D+01 -0.353504D+00 -0.546492D+02
      3   0.177952D+01 -0.244168D+01  0.268310D+01 -0.142135D+02 -0.441577D+02
      4   0.124075D+01 -0.285460D+01  0.170348D+01  0.134229D+01 -0.466205D+01
      5  -0.348995D+01  0.653910D+01  0.884668D+00 -0.487395D+01 -0.114500D+02
      6   0.162152D+01 -0.704653D+00  0.162002D+01  0.350330D+01  0.600292D-01
                11            12            13            14            15 
      1   0.134828D+01 -0.128511D+02  0.508415D+01  0.120214D+01  0.238091D+00
      2  -0.296077D+01  0.584744D+01 -0.731586D+01  0.911402D+01 -0.363674D+01
      3   0.161249D+01  0.700366D+01  0.223171D+01 -0.103162D+02  0.339865D+01
      4   0.162826D+02 -0.482706D+01  0.245896D+02 -0.325978D+02 -0.161303D+02
      5  -0.556809D+01  0.282790D+02 -0.336854D+01 -0.175457D+02 -0.120978D+02
      6   0.480504D+00 -0.113018D+01 -0.212184D+01 -0.644376D+01  0.143727D+02
                16            17            18            19            20 
      1  -0.181263D+02  0.310187D+01  0.369747D+01 -0.139415D+01 -0.272409D+01
      2   0.769980D+01 -0.969644D+00 -0.201858D+02  0.508607D+01  0.147654D+01
      3   0.104265D+02 -0.213223D+01  0.164883D+02 -0.369193D+01  0.124755D+01
      4  -0.982773D-01 -0.173221D+02 -0.104306D+02 -0.584991D+01  0.753402D+01
      5   0.348780D+02 -0.101467D+02 -0.673120D+01  0.319465D+01 -0.769179D-01
      6  -0.379685D+01  0.113611D+02 -0.333504D+01  0.135974D+01 -0.142776D+01
                21            22            23            24            25 
      1  -0.365249D+00  0.882315D+01  0.144526D+01  0.201638D+01 -0.938443D+01
      2  -0.145296D+01 -0.382992D+01 -0.665623D+01 -0.875877D+00  0.456721D+01
      3   0.181820D+01 -0.499323D+01  0.521097D+01 -0.114050D+01  0.481723D+01
      4  -0.531417D+00 -0.748085D+01  0.964176D+01 -0.156120D+01 -0.268698D+01
      5   0.213342D+01  0.412230D-01 -0.616436D+00  0.423302D+01 -0.126039D+01
      6  -0.134367D+00 -0.268356D+01 -0.744675D+00 -0.245808D+01  0.655573D-01
                26            27            28            29            30 
      1   0.121099D+01  0.561390D+01  0.172303D+02  0.798433D+01  0.667490D+00
      2  -0.396032D+01  0.871540D+01 -0.144077D+02 -0.108434D+02  0.225590D+01
      3   0.274933D+01 -0.143293D+02 -0.282261D+01  0.285911D+01 -0.292339D+01
      4  -0.384459D+00  0.657339D+00 -0.457222D+01 -0.449401D+01  0.323387D+01
      5  -0.191909D+00 -0.236510D+01  0.596436D+00  0.159894D+01  0.512036D+01
      6   0.120099D+01  0.140378D+01  0.527387D+01  0.245851D+01 -0.829155D+01
                31            32            33            34            35 
      1   0.291307D+01 -0.138818D+02 -0.134945D+01 -0.765866D+00 -0.271207D-01
      2  -0.871207D+01  0.239383D+02  0.386703D+01  0.238534D+01  0.446335D+01
      3   0.579900D+01 -0.100564D+02 -0.251758D+01 -0.161947D+01 -0.443623D+01
      4   0.287734D+01 -0.139917D+02  0.141760D+01  0.376057D+01  0.127993D+01
      5   0.778785D+00  0.403820D+00 -0.288023D+01  0.423576D+01 -0.258823D+01
      6   0.298306D+01  0.455794D+01  0.135502D+01 -0.858720D+01 -0.235720D+01
                36            37            38            39            40 
      1   0.525343D+01 -0.938071D+01  0.129711D+02 -0.734606D+00 -0.405083D+00
      2  -0.251786D+01  0.282883D+01 -0.122130D+02 -0.152656D+01 -0.527205D+01
      3  -0.273557D+01  0.655188D+01 -0.758113D+00  0.226117D+01  0.567713D+01
      4  -0.689316D+01  0.802338D+01 -0.135631D+02  0.175740D+00 -0.241686D+02
      5   0.189496D+01 -0.985398D+00 -0.399437D+00 -0.857617D+01 -0.254517D+01
      6  -0.130479D+02 -0.694543D+00 -0.258094D+00  0.154169D+01 -0.777111D+00
                41            42            43            44            45 
      1   0.664643D+01 -0.807666D-01  0.347517D+01 -0.336761D+01 -0.456393D+01
      2  -0.187667D+02  0.124589D+00 -0.309014D+01  0.235461D+01 -0.666085D+01
      3   0.121203D+02 -0.438226D-01 -0.385029D+00  0.101300D+01  0.112248D+02
      4  -0.299812D+02  0.720755D+00  0.136435D+00  0.261159D+01 -0.282752D+01
      5   0.851853D-01 -0.281792D+01  0.308497D+01 -0.230678D+01  0.402962D+01
      6  -0.152201D+01 -0.132579D+02 -0.387899D+00  0.347716D+01  0.878173D+00
                46            47            48            49            50 
      1   0.122642D+02  0.652700D+01 -0.274212D+00  0.111767D+02 -0.232670D+02
      2  -0.205033D+01  0.240824D+01  0.506632D+00  0.256671D+01  0.443589D+02
      3  -0.102138D+02 -0.893524D+01 -0.232421D+00 -0.137434D+02 -0.210919D+02
      4   0.194733D+02  0.238561D+02 -0.612192D-01  0.277466D+02  0.568748D+02
      5   0.536251D+00  0.234398D+00  0.836763D+01  0.158757D+01  0.682810D+00
      6   0.412050D+00  0.518026D+00  0.364985D+01  0.114237D+01  0.142736D+01
                51            52            53            54            55 
      1  -0.476333D+00 -0.724948D+00  0.207078D+00 -0.375488D+01  0.568154D+02
      2   0.599736D-01  0.103579D+01 -0.747189D+00  0.325120D+01 -0.336072D+02
      3   0.416359D+00 -0.310839D+00  0.540111D+00  0.503680D+00 -0.232082D+02
      4   0.149857D+00 -0.306059D+00 -0.111614D+01  0.132557D+02 -0.216277D+02
      5   0.110222D+02  0.960811D+01  0.135622D+02 -0.876243D+00 -0.535705D+00
      6   0.171987D+02  0.419829D+01  0.141850D+02 -0.443209D+00  0.492263D+00
                56            57            58            59            60 
      1  -0.959548D+01  0.196633D+00  0.549570D+01  0.137329D+02 -0.615394D+00
      2   0.324496D+01  0.463447D+00 -0.642361D+01 -0.608287D+01  0.169752D+00
      3   0.635052D+01 -0.660080D+00  0.927914D+00 -0.765002D+01  0.445642D+00
      4   0.203995D+02  0.304956D+00  0.211775D+02 -0.191859D+01 -0.923229D+00
      5  -0.151863D+00  0.176963D+02 -0.213062D+00 -0.101628D+01 -0.434932D+01
      6  -0.185066D+00 -0.443717D+01 -0.785586D+00  0.825369D+00  0.708331D+01
                61            62            63            64            65 
      1  -0.174512D+01  0.104542D+01  0.687167D+01  0.514541D+00  0.440595D+00
      2   0.164058D+01 -0.457906D-01 -0.857495D+01 -0.340193D+01 -0.190209D+00
      3   0.104535D+00 -0.999630D+00  0.170328D+01  0.288739D+01 -0.250386D+00
      4   0.844543D+00 -0.163751D+01 -0.543790D+01  0.133146D+00  0.270610D+00
      5   0.161712D+02 -0.599774D+01 -0.360630D+01 -0.601104D+00 -0.296078D-01
      6  -0.196858D+01  0.482080D+01  0.585062D+00 -0.529338D+00  0.306572D+00
                66            67            68            69            70 
      1   0.105861D+01  0.257710D+00 -0.445706D+01 -0.347409D+00  0.185270D+01
      2   0.960315D+00  0.542274D+00  0.998471D+00 -0.943628D+00  0.102411D+01
      3  -0.201893D+01 -0.799984D+00  0.345859D+01  0.129104D+01 -0.287681D+01
      4  -0.252738D+00  0.205782D+01 -0.824227D+00  0.275763D+00  0.116343D+01
      5   0.419601D+01  0.358730D+00  0.270828D-01 -0.317740D+00  0.380968D+01
      6   0.348281D+00  0.218888D+00  0.496514D+00  0.602931D+01  0.180087D+00
                71            72            73            74            75 
      1   0.117246D+01 -0.170717D+02  0.269933D+01  0.611601D-01  0.353790D+01
      2  -0.984856D+00 -0.123162D+02 -0.426495D+01  0.205760D-01  0.618486D+00
      3  -0.187608D+00  0.293880D+02  0.156562D+01 -0.817361D-01 -0.415639D+01
      4   0.912770D+00 -0.737425D+00  0.343835D+00  0.273897D+01 -0.177935D+01
      5   0.749644D-01  0.149799D+01 -0.122928D+01 -0.126178D+01  0.702134D+01
      6   0.374177D+01 -0.247232D+01 -0.689724D+00 -0.107848D+01  0.979756D+00
                76            77            78            79            80 
      1   0.233827D+01 -0.499765D+01  0.813498D+00  0.106389D+02  0.466893D+01
      2  -0.101434D+01  0.258134D+01 -0.836151D+00 -0.181404D+01 -0.689748D+00
      3  -0.132393D+01  0.241631D+01  0.226531D-01 -0.882488D+01 -0.397918D+01
      4   0.669869D+00 -0.489888D+00  0.624300D+00 -0.988330D+00  0.403255D+00
      5  -0.101613D+01  0.435911D+00  0.274068D+00  0.160076D+01 -0.119672D+01
      6  -0.124427D+01 -0.171098D+01  0.518588D+01  0.157703D+01  0.562671D+01
                81            82            83            84            85 
      1  -0.249734D+02  0.211162D+01 -0.996860D+00 -0.865282D+00 -0.570414D+01
      2  -0.699595D+01  0.123623D+01  0.935128D+00  0.110625D+01  0.462669D+01
      3   0.319694D+02 -0.334785D+01  0.617318D-01 -0.240970D+00  0.107745D+01
      4  -0.734623D+00  0.288877D+00  0.476990D+01  0.204533D+00  0.290601D+01
      5   0.627023D+01 -0.694075D+00 -0.288056D+00  0.155467D+01 -0.843595D+00
      6  -0.100251D+02  0.902781D+00  0.553716D-01  0.151363D+00 -0.147200D+00
                86            87            88            89            90 
      1  -0.189153D+02 -0.134847D+01 -0.383846D+01 -0.378437D+01 -0.510087D+01
      2   0.278134D+02  0.291957D+01  0.276408D+01  0.445457D+01  0.260729D+01
      3  -0.889809D+01 -0.157110D+01  0.107438D+01 -0.670198D+00  0.249358D+01
      4  -0.103288D+02 -0.786847D+00 -0.245487D+00 -0.235190D+01 -0.136046D+01
      5  -0.113138D+01 -0.146209D+01  0.611054D+00 -0.146107D+01 -0.484590D+00
      6   0.482469D+00  0.447162D+01  0.661260D+00  0.550255D+01  0.141609D+01
                91            92            93            94            95 
      1  -0.147496D+02 -0.491929D+01 -0.209827D+00 -0.178714D+02 -0.695042D+01
      2   0.119107D+02  0.125660D+01  0.325092D+00  0.960839D+01  0.105943D+02
      3   0.283894D+01  0.366269D+01 -0.115265D+00  0.826304D+01 -0.364390D+01
      4  -0.359041D+01  0.989505D-01 -0.381296D+00  0.722956D+01 -0.205358D+02
      5   0.409308D+00  0.261565D+00 -0.153341D+01  0.690798D+00  0.444656D+00
      6  -0.140201D+00  0.315348D-01 -0.174957D+01  0.308258D+00 -0.117731D+00
                96            97            98            99           100 
      1   0.164385D+00  0.891543D+00  0.305020D+00 -0.646437D+00 -0.226105D+01
      2  -0.154511D+00 -0.520403D+00 -0.347375D+00  0.135483D-01  0.619056D+01
      3  -0.987395D-02 -0.371140D+00  0.423542D-01  0.632889D+00 -0.392950D+01
      4  -0.425323D-01 -0.147396D+00  0.559188D+00 -0.295895D+01  0.705851D+01
      5  -0.431664D+01  0.322843D+01 -0.276779D+01  0.195984D+00 -0.165965D+01
      6   0.169212D+01 -0.152867D+01  0.265303D+01 -0.319960D+00 -0.526597D+01
               101           102           103           104           105 
      1  -0.886428D+01  0.181993D+01 -0.554902D+01 -0.951659D+01  0.252321D+01
      2   0.134474D+02 -0.365467D+01  0.905106D+01  0.157607D+02 -0.457699D+01
      3  -0.458316D+01  0.183475D+01 -0.350205D+01 -0.624408D+01  0.205378D+01
      4   0.957528D+01 -0.350242D+01  0.936921D+01  0.740029D+01 -0.301522D+01
      5  -0.193089D+01  0.167932D+01 -0.406409D+00 -0.156831D+01  0.135998D+01
      6  -0.547043D+01  0.605485D+01 -0.437985D+01 -0.597301D+01  0.549927D+01
               106           107           108           109           110 
      1   0.272009D+01  0.610244D+01 -0.531372D+01 -0.175705D+01 -0.197219D+01
      2  -0.379149D+01 -0.727631D+01  0.366785D+01  0.132847D+01  0.219941D+01
      3   0.107140D+01  0.117387D+01  0.164587D+01  0.428577D+00 -0.227220D+00
      4  -0.511289D+01 -0.391681D+01  0.432022D+01  0.763728D-01  0.266436D+01
      5   0.191142D+01  0.211166D+01 -0.222183D+01  0.852774D+00  0.822576D+00
      6   0.544930D+01  0.802066D+01 -0.643585D+01  0.123694D+01  0.272139D+01
               111           112           113           114           115 
      1  -0.194919D+01 -0.255363D+00 -0.457895D+01 -0.284372D+01 -0.748058D+00
      2   0.112669D+01  0.455028D+00  0.492452D+01  0.311089D+01 -0.265911D+00
      3   0.822505D+00 -0.199665D+00 -0.345566D+00 -0.267162D+00  0.101397D+01
      4   0.153302D+01  0.332431D+01  0.153704D+01  0.136312D+01  0.359625D+01
      5   0.162078D+01  0.217327D+00  0.479075D+00  0.970509D+00  0.216620D+01
      6   0.351843D+01  0.217287D+01  0.388599D+01  0.701588D+01  0.425857D+01
               116           117           118           119           120 
      1  -0.783659D+01 -0.122415D+02  0.560585D+01  0.601729D+01  0.377349D+01
      2   0.579291D+01 -0.600827D+00 -0.135652D+01 -0.228398D+01 -0.191986D+01
      3   0.204367D+01  0.128423D+02 -0.424934D+01 -0.373331D+01 -0.185363D+01
      4   0.150412D+01  0.250587D+01  0.521644D+01  0.122447D+02  0.280049D+01
      5   0.303139D+00  0.202506D+00  0.350827D+01  0.246657D+01  0.427454D+01
      6   0.100648D+02  0.222070D+02  0.193858D+01  0.474057D+00  0.399795D+00
               121           122           123           124           125 
      1   0.894971D+01  0.247923D+00  0.675447D+00  0.380030D+01 -0.240207D+01
      2  -0.313552D+01  0.804557D+01  0.271546D+01 -0.115725D+01  0.117582D+01
      3  -0.581419D+01 -0.829350D+01 -0.339091D+01 -0.264304D+01  0.122625D+01
      4   0.130124D+02  0.345908D+02  0.159435D+02  0.293879D+01  0.177546D+02
      5   0.546921D+01  0.172910D+02  0.138719D+02  0.499472D+01  0.103218D+02
      6   0.330250D+01  0.798391D+01  0.479485D+01  0.118526D+01  0.745030D+01
               126 
      1  -0.273972D+01
      2  -0.452074D+00
      3   0.319180D+01
      4   0.929919D+01
      5   0.634426D+01
      6   0.538594D+01
 Leave Link  716 at Thu Aug 12 22:14:42 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.915790D+02  0.601519D+00 -0.723666D+00
      2   0.601519D+00  0.773676D+02 -0.700035D+00
      3  -0.723666D+00 -0.700035D+00  0.606041D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.238724D+01 -0.321835D+01 -0.270706D+01
      2   0.250115D+01 -0.102422D+01  0.329630D+02
      3  -0.107671D+01 -0.135129D+02  0.347612D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.877373D+02 -0.486996D+01 -0.122769D+01
      2  -0.531216D+02  0.699351D+01  0.175049D+01
      3  -0.346157D+02 -0.212355D+01 -0.522801D+00
      4   0.584454D+01  0.127105D+02 -0.153066D+01
      5   0.343237D+01 -0.358634D+01  0.619355D+02
      6   0.115387D+01  0.534735D+01  0.112565D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.808798D+01 -0.254853D+01  0.165235D+01 -0.386249D+01  0.104836D+01
      2  -0.254853D+01  0.466906D+00  0.477306D+00  0.104836D+01  0.321041D+01
      3   0.165235D+01  0.477306D+00 -0.702057D+00 -0.123070D+00  0.123303D+01
                 6             7             8             9            10 
      1  -0.123070D+00  0.361704D+01 -0.501172D+00  0.162931D+01  0.164539D+02
      2   0.123303D+01 -0.501172D+00  0.143219D+01  0.746289D+00  0.376122D+00
      3  -0.331430D+00  0.162931D+01  0.746289D+00 -0.602546D+01 -0.215566D+01
                11            12            13            14            15 
      1   0.376122D+00 -0.215566D+01 -0.248719D+00  0.232933D+01 -0.176727D+00
      2   0.935203D+00 -0.657266D+00  0.232933D+01 -0.525265D+01 -0.330681D+01
      3  -0.657266D+00  0.246869D+01 -0.176727D+00 -0.330681D+01 -0.234633D+01
                16            17            18            19            20 
      1  -0.394401D+01 -0.432911D-01  0.377092D+01  0.323330D+01  0.277417D+01
      2  -0.432911D-01 -0.357765D+01 -0.161447D+01  0.277417D+01 -0.102108D+01
      3   0.377092D+01 -0.161447D+01 -0.180507D+01 -0.884222D-01  0.509415D+00
                21            22            23            24            25 
      1  -0.884222D-01  0.497670D+01  0.150701D+00 -0.881588D-01 -0.197258D+01
      2   0.509415D+00  0.150701D+00 -0.243844D+01 -0.807120D+00  0.121067D+01
      3  -0.808660D+00 -0.881588D-01 -0.807120D+00  0.830106D+00 -0.703039D+00
                26            27            28            29            30 
      1   0.121067D+01 -0.703039D+00 -0.206109D+01 -0.161985D+01  0.104133D+01
      2  -0.112103D+01  0.246267D+00 -0.161985D+01 -0.221687D+01  0.802134D-01
      3   0.246267D+00  0.561012D+01  0.104133D+01  0.802134D-01 -0.139281D+01
                31            32            33            34            35 
      1  -0.172437D+01 -0.243624D+01  0.417868D+00  0.163626D+01  0.130080D+00
      2  -0.243624D+01  0.408291D+01  0.618505D+00  0.130080D+00  0.644382D+00
      3   0.417868D+00  0.618505D+00 -0.107378D+01 -0.159456D+01 -0.104066D+01
                36            37            38            39            40 
      1  -0.159456D+01 -0.422560D+01 -0.223242D+01 -0.233927D+00 -0.217469D+01
      2  -0.104066D+01 -0.223242D+01  0.988171D+00  0.350210D-01  0.264866D+01
      3  -0.384193D+01 -0.233927D+00  0.350210D-01 -0.492107D+00 -0.971159D-01
                41            42            43            44            45 
      1   0.264866D+01 -0.971159D-01  0.339726D+00 -0.140410D+00 -0.247701D+00
      2   0.640155D+01 -0.449733D-01 -0.140410D+00  0.485327D+00  0.294519D+00
      3  -0.449733D-01  0.399101D+00 -0.247701D+00  0.294519D+00 -0.225242D+00
                46            47            48            49            50 
      1  -0.173620D+01 -0.317444D+01  0.756575D-01 -0.412884D+01 -0.314155D+01
      2  -0.317444D+01 -0.247179D+01 -0.164655D+00 -0.314155D+01 -0.131365D+02
      3   0.756575D-01 -0.164655D+00 -0.106357D+00  0.830298D-02  0.449896D-01
                51            52            53            54            55 
      1   0.830298D-02 -0.109261D+00  0.270577D-01 -0.109681D+01 -0.877075D+01
      2   0.449896D-01  0.270577D-01  0.148642D+00 -0.313753D+01  0.181797D+01
      3  -0.238357D+01 -0.109681D+01 -0.313753D+01  0.218729D+00  0.244228D+00
                56            57            58            59            60 
      1   0.181797D+01  0.244228D+00 -0.144957D+01 -0.390294D+01 -0.119582D+00
      2  -0.223041D+01 -0.230246D+00 -0.390294D+01 -0.136038D+01  0.162016D+00
      3  -0.230246D+00 -0.855609D+00 -0.119582D+00  0.162016D+00  0.467282D+00
                61            62            63            64            65 
      1   0.115788D+01 -0.273482D-02 -0.192407D+01  0.438227D+00 -0.526810D+00
      2  -0.273482D-02  0.742226D-01  0.109622D+01 -0.526810D+00  0.330257D+00
      3  -0.192407D+01  0.109622D+01  0.433637D+00 -0.908930D+00 -0.597112D-01
                66            67            68            69            70 
      1  -0.908930D+00 -0.113710D+01  0.998442D-01  0.837908D-01 -0.187991D+01
      2  -0.597112D-01  0.998442D-01  0.478084D+00 -0.946152D+00 -0.181299D+00
      3   0.886590D+00  0.837908D-01 -0.946152D+00 -0.319144D+00  0.164423D+00
                71            72            73            74            75 
      1  -0.181299D+00  0.164423D+00  0.405205D-01  0.125762D+00  0.879712D+00
      2  -0.135438D+01 -0.365938D-01  0.125762D+00 -0.762524D-01 -0.516961D-01
      3  -0.365938D-01 -0.722218D+01  0.879712D+00 -0.516961D-01 -0.564221D+00
                76            77            78            79            80 
      1   0.962019D+00 -0.278596D+00 -0.135904D+00  0.278046D+01  0.185050D+00
      2  -0.278596D+00 -0.619814D+00  0.825478D+00  0.185050D+00  0.117410D+01
      3  -0.135904D+00  0.825478D+00  0.282250D+00 -0.163907D+01 -0.124502D+01
                81            82            83            84            85 
      1  -0.163907D+01 -0.243311D+00 -0.582014D+00 -0.542478D+00 -0.190704D+01
      2  -0.124502D+01 -0.582014D+00 -0.645917D-01 -0.323198D-01 -0.648440D+00
      3   0.753780D+01 -0.542478D+00 -0.323198D-01 -0.317911D-01 -0.112557D+00
                86            87            88            89            90 
      1  -0.648440D+00 -0.112557D+00 -0.172641D+01 -0.222531D+00 -0.270508D+00
      2  -0.746823D+01 -0.618347D+00 -0.222531D+00 -0.140678D+01 -0.110339D+01
      3  -0.618347D+00 -0.103596D+01 -0.270508D+00 -0.110339D+01 -0.133387D+00
                91            92            93            94            95 
      1   0.198078D+01  0.209868D+01 -0.774014D-01  0.496055D+01  0.117491D+00
      2   0.209868D+01  0.506545D+00  0.137132D+00  0.117491D+00  0.486965D+01
      3  -0.774014D-01  0.137132D+00 -0.422396D+00  0.159519D-01  0.374491D-01
                96            97            98            99           100 
      1   0.159519D-01 -0.295345D+00 -0.605364D-01 -0.646192D+00  0.250462D+01
      2   0.374491D-01 -0.605364D-01 -0.164039D+00  0.584309D+00  0.177429D+01
      3   0.861360D+00 -0.646192D+00  0.584309D+00 -0.326834D-01 -0.872010D+00
               101           102           103           104           105 
      1   0.177429D+01 -0.872010D+00  0.259441D+01  0.210241D+01 -0.735849D+00
      2   0.313966D+01 -0.843394D+00  0.210241D+01  0.347919D+01 -0.883762D+00
      3  -0.843394D+00  0.111322D+01 -0.735849D+00 -0.883762D+00  0.113269D+01
               106           107           108           109           110 
      1  -0.231230D+01 -0.101369D+01  0.951640D+00 -0.275386D+00  0.554712D+00
      2  -0.101369D+01 -0.205310D+01  0.138969D+01  0.554712D+00  0.374783D+00
      3   0.951640D+00  0.138969D+01 -0.146310D+01  0.388442D+00  0.600357D+00
               111           112           113           114           115 
      1   0.388442D+00  0.612994D+00  0.201531D+00  0.395023D+00  0.159214D+01
      2   0.600357D+00  0.201531D+00  0.133824D+01  0.806765D+00  0.228081D+00
      3   0.547206D+00  0.395023D+00  0.806765D+00  0.100278D+01  0.977050D+00
               116           117           118           119           120 
      1   0.228081D+00  0.977050D+00  0.748924D+00  0.116236D+01  0.597098D+00
      2   0.235977D+01  0.200686D+01  0.116236D+01  0.133948D+01  0.199843D+00
      3   0.200686D+01  0.586078D+01  0.597098D+00  0.199843D+00  0.360297D+00
               121           122           123           124           125 
      1   0.252614D+01  0.170944D+01  0.668028D+00  0.111630D+01  0.384728D+00
      2   0.170944D+01  0.641602D+01  0.287893D+01  0.384728D+00  0.335833D+01
      3   0.668028D+00  0.287893D+01  0.251465D+01  0.628607D+00  0.181350D+01
               126 
      1   0.628607D+00
      2   0.181350D+01
      3   0.108797D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.161133D+01 -0.161187D+01  0.881654D+00 -0.879014D+00  0.580533D+01
      2   0.429866D+01  0.177172D+01 -0.268174D+01 -0.226527D+00  0.109889D+01
      3   0.487332D+01  0.273394D+01 -0.293148D+01  0.121131D+02 -0.372452D+01
                 6             7             8             9            10 
      1  -0.227427D+01  0.268800D+01  0.317795D+01 -0.469981D+01 -0.796020D-01
      2  -0.183095D+01 -0.995178D+01 -0.263863D+00 -0.221306D+01 -0.940424D+01
      3  -0.227763D+01 -0.171602D+01 -0.101259D+01 -0.134359D+01 -0.906228D+01
                11            12            13            14            15 
      1   0.204853D+01  0.930216D+00  0.234260D+01 -0.105172D+01 -0.572023D+01
      2  -0.194237D+01  0.124167D+02  0.363492D+00 -0.998937D+01 -0.780963D+01
      3  -0.811604D+01  0.263306D+01  0.913485D+01  0.163895D+02  0.996733D+01
                16            17            18            19            20 
      1   0.336601D+01  0.961867D+01  0.475651D+00 -0.216849D+01  0.749927D+00
      2  -0.561757D+01 -0.475472D+01 -0.384923D+01  0.357611D+01 -0.120946D+01
      3  -0.194431D+01  0.108491D+02  0.252158D+01  0.488844D+01 -0.654739D+01
                21            22            23            24            25 
      1  -0.852551D+00  0.114256D+01  0.191796D+00 -0.233152D+00 -0.219317D+01
      2   0.333329D+01  0.134681D+01 -0.276534D+01  0.350875D+01 -0.278831D+01
      3   0.627777D+00 -0.303490D+01 -0.297023D+01  0.510083D+00  0.111680D+01
                26            27            28            29            30 
      1   0.410524D+01 -0.166000D+00 -0.305533D+01 -0.842740D+00  0.465055D+01
      2   0.329105D+00 -0.441473D+01 -0.178065D+01  0.201808D+01  0.533126D+01
      3   0.169218D+01 -0.118357D+00 -0.698208D+01 -0.115745D+02  0.156628D+01
                31            32            33            34            35 
      1  -0.234731D+01 -0.327178D+01 -0.226512D+01  0.457027D+01  0.673341D+01
      2   0.318055D+00  0.110674D+01 -0.133559D+01 -0.171991D+01 -0.335328D+00
      3   0.462931D+00  0.707007D-01  0.982260D+00  0.492186D+01  0.198934D+00
                36            37            38            39            40 
      1   0.811988D+01  0.132811D+01  0.746570D+00  0.498444D-01  0.172638D+01
      2   0.337641D+01 -0.387639D+01  0.128917D+00 -0.632838D+01 -0.143704D+01
      3  -0.450202D+01 -0.691952D+01  0.140782D+01 -0.272839D+00  0.206783D+01
                41            42            43            44            45 
      1   0.286313D+00  0.925586D+01  0.353796D+00  0.958564D+01 -0.321831D+00
      2   0.179472D+01 -0.249283D+01 -0.188520D+02 -0.217978D+01  0.353135D+01
      3   0.123264D+02 -0.143844D+01  0.326819D+01 -0.177712D+01  0.129290D+01
                46            47            48            49            50 
      1   0.100911D+00  0.547770D-02 -0.258534D+01 -0.692021D-01  0.923619D+00
      2  -0.132162D+00 -0.955183D-02  0.536664D+01 -0.985701D+00 -0.108885D+01
      3  -0.154319D+01 -0.636177D+01 -0.202557D-01  0.955818D+01 -0.230769D+02
                51            52            53            54            55 
      1  -0.109970D+02 -0.608084D+00  0.721879D+00  0.548142D+00 -0.911127D+00
      2   0.563401D+01  0.327668D+01  0.586562D+01 -0.114120D+01 -0.269551D+00
      3   0.645816D+00 -0.193447D+01  0.519393D+00 -0.557212D+01 -0.413779D+01
                56            57            58            59            60 
      1  -0.265250D+00  0.270289D+01  0.175710D+00 -0.283643D+00 -0.362706D+01
      2  -0.202270D+00  0.954280D+01  0.113517D+01 -0.130740D+00 -0.164287D+01
      3  -0.171086D+02  0.185274D+00 -0.137985D+02 -0.953802D+01 -0.151755D+00
                61            62            63            64            65 
      1   0.365510D+00  0.203754D+01 -0.328553D+00  0.452299D+00 -0.820807D+00
      2   0.646407D+01 -0.104712D+01 -0.211067D+01  0.199263D+01 -0.212447D+00
      3  -0.494163D+00  0.190743D+01  0.206760D+01  0.410603D+00 -0.299379D+00
                66            67            68            69            70 
      1   0.146582D+00 -0.469741D+00 -0.430851D+00 -0.392223D+00  0.240088D+00
      2   0.180008D+00 -0.289722D+00  0.633367D+00 -0.178768D+00 -0.298238D+01
      3  -0.159946D+00  0.186647D+01  0.110132D+00 -0.397989D-01 -0.396639D+00
                71            72            73            74            75 
      1   0.261704D+01  0.123638D+01  0.718266D+00 -0.839897D+00 -0.844092D+00
      2  -0.126415D-01  0.259670D+01  0.195129D+01 -0.412354D+00  0.204697D+01
      3  -0.482033D+00  0.842849D+00  0.250804D+00 -0.193994D+01 -0.313806D+00
                76            77            78            79            80 
      1  -0.562217D+00  0.248133D+00 -0.202309D+00 -0.212079D+01  0.183554D+01
      2  -0.544841D+00  0.647642D+00  0.229783D+00 -0.464149D+01 -0.737909D+00
      3   0.272495D+00  0.699094D+00 -0.200169D+00 -0.272797D+01 -0.456809D+00
                81            82            83            84            85 
      1   0.668388D+01 -0.785235D+00 -0.867077D-01 -0.470807D+00 -0.160079D+00
      2   0.478161D+01 -0.388387D+00  0.158289D+00  0.108500D+01 -0.908628D-01
      3   0.247875D+01  0.252986D+01  0.184576D+00  0.822108D+00  0.614939D+01
                86            87            88            89            90 
      1  -0.345345D+01 -0.316727D+01 -0.378804D+00 -0.917729D+00 -0.270822D+00
      2  -0.121269D+00 -0.683652D+00 -0.120218D+01 -0.770785D+00 -0.326406D+00
      3   0.865623D+01  0.875716D+00  0.268239D+01  0.193099D+01  0.134246D+01
                91            92            93            94            95 
      1   0.513306D+00  0.781015D-01  0.885460D+00 -0.911454D-01  0.393661D+00
      2  -0.997454D-01 -0.493296D+00 -0.114683D+01 -0.135827D+00 -0.380775D+00
      3   0.100229D+02  0.933904D+01  0.182083D+00  0.127265D+02  0.183655D+02
                96            97            98            99           100 
      1  -0.113683D+01  0.927104D+00  0.104074D+01  0.283969D+00  0.228051D+01
      2  -0.233351D+01 -0.162778D+01 -0.192132D+01  0.457159D-01  0.219683D+01
      3   0.607778D+00 -0.346119D+00 -0.931441D+00  0.363902D+00  0.952039D+01
               101           102           103           104           105 
      1   0.169931D+01 -0.347445D+01  0.160700D+01  0.187502D+01 -0.257703D+01
      2  -0.319486D+00 -0.211174D-01  0.153321D+00  0.662732D+00  0.599445D+00
      3   0.304877D+01 -0.220982D+01  0.783511D+01  0.496633D+01 -0.207749D+01
               106           107           108           109           110 
      1  -0.278271D+01 -0.126383D+01  0.241669D+01 -0.631130D+00 -0.439111D+00
      2  -0.220710D+01  0.383756D+00 -0.599621D+00 -0.114643D+01  0.373550D-01
      3  -0.679148D+01 -0.256807D+01  0.227369D+01  0.651306D+00  0.998336D+00
               111           112           113           114           115 
      1  -0.194819D+01 -0.554435D+00 -0.171977D+01 -0.264202D+01 -0.302555D+01
      2  -0.527386D+00 -0.175510D+00 -0.623427D+00  0.620226D-01 -0.340337D+01
      3   0.604397D+00  0.218311D+01  0.585282D+00  0.130213D+01  0.370247D+01
               116           117           118           119           120 
      1  -0.220512D+01 -0.124315D+02  0.626188D+00 -0.421532D+00 -0.717784D-01
      2  -0.580313D+00 -0.273688D+01  0.272155D+01  0.337251D+00  0.170290D+01
      3   0.155282D+01  0.377621D+01 -0.480216D+01 -0.444727D+01 -0.362182D+00
               121           122           123           124           125 
      1  -0.150061D+01  0.836967D+00 -0.432146D+01 -0.110224D+01  0.159551D+01
      2   0.569174D+00  0.915568D+01  0.827379D+01 -0.533096D+00  0.571963D+01
      3  -0.175032D+01 -0.225539D+02 -0.907029D+01  0.659464D+00 -0.114227D+02
               126 
      1  -0.189675D+01
      2   0.342446D+01
      3  -0.542385D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.444004D+02 -0.547559D+01  0.523053D+01 -0.156544D+02  0.117118D+02
      2   0.241044D+02  0.310154D+01 -0.417376D+01  0.965525D+01 -0.134669D+02
      3   0.202960D+02  0.237406D+01 -0.105677D+01  0.599918D+01  0.175512D+01
      4   0.289903D+00 -0.501030D+01  0.238285D+01  0.826827D+01  0.122476D+01
      5   0.733385D+01  0.362256D+01 -0.112296D+02 -0.750746D+00  0.202848D+01
      6  -0.435647D+01  0.137388D+01 -0.901199D+00  0.128781D+01 -0.384742D+01
                 6             7             8             9            10 
      1   0.109723D+01  0.124369D+02  0.702450D-01  0.145670D+02  0.988070D+02
      2  -0.287675D+01 -0.999521D+01 -0.275334D+01 -0.353504D+00 -0.546492D+02
      3   0.177952D+01 -0.244168D+01  0.268310D+01 -0.142135D+02 -0.441577D+02
      4   0.124075D+01 -0.285460D+01  0.170348D+01  0.134229D+01 -0.466205D+01
      5  -0.348995D+01  0.653910D+01  0.884668D+00 -0.487395D+01 -0.114500D+02
      6   0.162152D+01 -0.704653D+00  0.162002D+01  0.350330D+01  0.600292D-01
                11            12            13            14            15 
      1   0.134828D+01 -0.128511D+02  0.508415D+01  0.120214D+01  0.238091D+00
      2  -0.296077D+01  0.584744D+01 -0.731586D+01  0.911402D+01 -0.363674D+01
      3   0.161249D+01  0.700366D+01  0.223171D+01 -0.103162D+02  0.339865D+01
      4   0.162826D+02 -0.482706D+01  0.245896D+02 -0.325978D+02 -0.161303D+02
      5  -0.556809D+01  0.282790D+02 -0.336854D+01 -0.175457D+02 -0.120978D+02
      6   0.480504D+00 -0.113018D+01 -0.212184D+01 -0.644376D+01  0.143727D+02
                16            17            18            19            20 
      1  -0.181263D+02  0.310187D+01  0.369747D+01 -0.139415D+01 -0.272409D+01
      2   0.769980D+01 -0.969644D+00 -0.201858D+02  0.508607D+01  0.147654D+01
      3   0.104265D+02 -0.213223D+01  0.164883D+02 -0.369193D+01  0.124755D+01
      4  -0.982773D-01 -0.173221D+02 -0.104306D+02 -0.584991D+01  0.753402D+01
      5   0.348780D+02 -0.101467D+02 -0.673120D+01  0.319465D+01 -0.769179D-01
      6  -0.379685D+01  0.113611D+02 -0.333504D+01  0.135974D+01 -0.142776D+01
                21            22            23            24            25 
      1  -0.365249D+00  0.882315D+01  0.144526D+01  0.201638D+01 -0.938443D+01
      2  -0.145296D+01 -0.382992D+01 -0.665623D+01 -0.875877D+00  0.456721D+01
      3   0.181820D+01 -0.499323D+01  0.521097D+01 -0.114050D+01  0.481723D+01
      4  -0.531417D+00 -0.748085D+01  0.964176D+01 -0.156120D+01 -0.268698D+01
      5   0.213342D+01  0.412230D-01 -0.616436D+00  0.423302D+01 -0.126039D+01
      6  -0.134367D+00 -0.268356D+01 -0.744675D+00 -0.245808D+01  0.655573D-01
                26            27            28            29            30 
      1   0.121099D+01  0.561390D+01  0.172303D+02  0.798433D+01  0.667490D+00
      2  -0.396032D+01  0.871540D+01 -0.144077D+02 -0.108434D+02  0.225590D+01
      3   0.274933D+01 -0.143293D+02 -0.282261D+01  0.285911D+01 -0.292339D+01
      4  -0.384459D+00  0.657339D+00 -0.457222D+01 -0.449401D+01  0.323387D+01
      5  -0.191909D+00 -0.236510D+01  0.596436D+00  0.159894D+01  0.512036D+01
      6   0.120099D+01  0.140378D+01  0.527387D+01  0.245851D+01 -0.829155D+01
                31            32            33            34            35 
      1   0.291307D+01 -0.138818D+02 -0.134945D+01 -0.765866D+00 -0.271207D-01
      2  -0.871207D+01  0.239383D+02  0.386703D+01  0.238534D+01  0.446335D+01
      3   0.579900D+01 -0.100564D+02 -0.251758D+01 -0.161947D+01 -0.443623D+01
      4   0.287734D+01 -0.139917D+02  0.141760D+01  0.376057D+01  0.127993D+01
      5   0.778785D+00  0.403820D+00 -0.288023D+01  0.423576D+01 -0.258823D+01
      6   0.298306D+01  0.455794D+01  0.135502D+01 -0.858720D+01 -0.235720D+01
                36            37            38            39            40 
      1   0.525343D+01 -0.938071D+01  0.129711D+02 -0.734606D+00 -0.405083D+00
      2  -0.251786D+01  0.282883D+01 -0.122130D+02 -0.152656D+01 -0.527205D+01
      3  -0.273557D+01  0.655188D+01 -0.758113D+00  0.226117D+01  0.567713D+01
      4  -0.689316D+01  0.802338D+01 -0.135631D+02  0.175740D+00 -0.241686D+02
      5   0.189496D+01 -0.985398D+00 -0.399437D+00 -0.857617D+01 -0.254517D+01
      6  -0.130479D+02 -0.694543D+00 -0.258094D+00  0.154169D+01 -0.777111D+00
                41            42            43            44            45 
      1   0.664643D+01 -0.807666D-01  0.347517D+01 -0.336761D+01 -0.456393D+01
      2  -0.187667D+02  0.124589D+00 -0.309014D+01  0.235461D+01 -0.666085D+01
      3   0.121203D+02 -0.438226D-01 -0.385029D+00  0.101300D+01  0.112248D+02
      4  -0.299812D+02  0.720755D+00  0.136435D+00  0.261159D+01 -0.282752D+01
      5   0.851853D-01 -0.281792D+01  0.308497D+01 -0.230678D+01  0.402962D+01
      6  -0.152201D+01 -0.132579D+02 -0.387899D+00  0.347716D+01  0.878173D+00
                46            47            48            49            50 
      1   0.122642D+02  0.652700D+01 -0.274212D+00  0.111767D+02 -0.232670D+02
      2  -0.205033D+01  0.240824D+01  0.506632D+00  0.256671D+01  0.443589D+02
      3  -0.102138D+02 -0.893524D+01 -0.232421D+00 -0.137434D+02 -0.210919D+02
      4   0.194733D+02  0.238561D+02 -0.612192D-01  0.277466D+02  0.568748D+02
      5   0.536251D+00  0.234398D+00  0.836763D+01  0.158757D+01  0.682810D+00
      6   0.412050D+00  0.518026D+00  0.364985D+01  0.114237D+01  0.142736D+01
                51            52            53            54            55 
      1  -0.476333D+00 -0.724948D+00  0.207078D+00 -0.375488D+01  0.568154D+02
      2   0.599736D-01  0.103579D+01 -0.747189D+00  0.325120D+01 -0.336072D+02
      3   0.416359D+00 -0.310839D+00  0.540111D+00  0.503680D+00 -0.232082D+02
      4   0.149857D+00 -0.306059D+00 -0.111614D+01  0.132557D+02 -0.216277D+02
      5   0.110222D+02  0.960811D+01  0.135622D+02 -0.876243D+00 -0.535705D+00
      6   0.171987D+02  0.419829D+01  0.141850D+02 -0.443209D+00  0.492263D+00
                56            57            58            59            60 
      1  -0.959548D+01  0.196633D+00  0.549570D+01  0.137329D+02 -0.615394D+00
      2   0.324496D+01  0.463447D+00 -0.642361D+01 -0.608287D+01  0.169752D+00
      3   0.635052D+01 -0.660080D+00  0.927914D+00 -0.765002D+01  0.445642D+00
      4   0.203995D+02  0.304956D+00  0.211775D+02 -0.191859D+01 -0.923229D+00
      5  -0.151863D+00  0.176963D+02 -0.213062D+00 -0.101628D+01 -0.434932D+01
      6  -0.185066D+00 -0.443717D+01 -0.785586D+00  0.825369D+00  0.708331D+01
                61            62            63            64            65 
      1  -0.174512D+01  0.104542D+01  0.687167D+01  0.514541D+00  0.440595D+00
      2   0.164058D+01 -0.457906D-01 -0.857495D+01 -0.340193D+01 -0.190209D+00
      3   0.104535D+00 -0.999630D+00  0.170328D+01  0.288739D+01 -0.250386D+00
      4   0.844543D+00 -0.163751D+01 -0.543790D+01  0.133146D+00  0.270610D+00
      5   0.161712D+02 -0.599774D+01 -0.360630D+01 -0.601104D+00 -0.296078D-01
      6  -0.196858D+01  0.482080D+01  0.585062D+00 -0.529338D+00  0.306572D+00
                66            67            68            69            70 
      1   0.105861D+01  0.257710D+00 -0.445706D+01 -0.347409D+00  0.185270D+01
      2   0.960315D+00  0.542274D+00  0.998471D+00 -0.943628D+00  0.102411D+01
      3  -0.201893D+01 -0.799984D+00  0.345859D+01  0.129104D+01 -0.287681D+01
      4  -0.252738D+00  0.205782D+01 -0.824227D+00  0.275763D+00  0.116343D+01
      5   0.419601D+01  0.358730D+00  0.270828D-01 -0.317740D+00  0.380968D+01
      6   0.348281D+00  0.218888D+00  0.496514D+00  0.602931D+01  0.180087D+00
                71            72            73            74            75 
      1   0.117246D+01 -0.170717D+02  0.269933D+01  0.611601D-01  0.353790D+01
      2  -0.984856D+00 -0.123162D+02 -0.426495D+01  0.205760D-01  0.618486D+00
      3  -0.187608D+00  0.293880D+02  0.156562D+01 -0.817361D-01 -0.415639D+01
      4   0.912770D+00 -0.737425D+00  0.343835D+00  0.273897D+01 -0.177935D+01
      5   0.749644D-01  0.149799D+01 -0.122928D+01 -0.126178D+01  0.702134D+01
      6   0.374177D+01 -0.247232D+01 -0.689724D+00 -0.107848D+01  0.979756D+00
                76            77            78            79            80 
      1   0.233827D+01 -0.499765D+01  0.813498D+00  0.106389D+02  0.466893D+01
      2  -0.101434D+01  0.258134D+01 -0.836151D+00 -0.181404D+01 -0.689748D+00
      3  -0.132393D+01  0.241631D+01  0.226531D-01 -0.882488D+01 -0.397918D+01
      4   0.669869D+00 -0.489888D+00  0.624300D+00 -0.988330D+00  0.403255D+00
      5  -0.101613D+01  0.435911D+00  0.274068D+00  0.160076D+01 -0.119672D+01
      6  -0.124427D+01 -0.171098D+01  0.518588D+01  0.157703D+01  0.562671D+01
                81            82            83            84            85 
      1  -0.249734D+02  0.211162D+01 -0.996860D+00 -0.865282D+00 -0.570414D+01
      2  -0.699595D+01  0.123623D+01  0.935128D+00  0.110625D+01  0.462669D+01
      3   0.319694D+02 -0.334785D+01  0.617318D-01 -0.240970D+00  0.107745D+01
      4  -0.734623D+00  0.288877D+00  0.476990D+01  0.204533D+00  0.290601D+01
      5   0.627023D+01 -0.694075D+00 -0.288056D+00  0.155467D+01 -0.843595D+00
      6  -0.100251D+02  0.902781D+00  0.553716D-01  0.151363D+00 -0.147200D+00
                86            87            88            89            90 
      1  -0.189153D+02 -0.134847D+01 -0.383846D+01 -0.378437D+01 -0.510087D+01
      2   0.278134D+02  0.291957D+01  0.276408D+01  0.445457D+01  0.260729D+01
      3  -0.889809D+01 -0.157110D+01  0.107438D+01 -0.670198D+00  0.249358D+01
      4  -0.103288D+02 -0.786847D+00 -0.245487D+00 -0.235190D+01 -0.136046D+01
      5  -0.113138D+01 -0.146209D+01  0.611054D+00 -0.146107D+01 -0.484590D+00
      6   0.482469D+00  0.447162D+01  0.661260D+00  0.550255D+01  0.141609D+01
                91            92            93            94            95 
      1  -0.147496D+02 -0.491929D+01 -0.209827D+00 -0.178714D+02 -0.695042D+01
      2   0.119107D+02  0.125660D+01  0.325092D+00  0.960839D+01  0.105943D+02
      3   0.283894D+01  0.366269D+01 -0.115265D+00  0.826304D+01 -0.364390D+01
      4  -0.359041D+01  0.989505D-01 -0.381296D+00  0.722956D+01 -0.205358D+02
      5   0.409308D+00  0.261565D+00 -0.153341D+01  0.690798D+00  0.444656D+00
      6  -0.140201D+00  0.315348D-01 -0.174957D+01  0.308258D+00 -0.117731D+00
                96            97            98            99           100 
      1   0.164385D+00  0.891543D+00  0.305020D+00 -0.646437D+00 -0.226105D+01
      2  -0.154511D+00 -0.520403D+00 -0.347375D+00  0.135483D-01  0.619056D+01
      3  -0.987395D-02 -0.371140D+00  0.423542D-01  0.632889D+00 -0.392950D+01
      4  -0.425323D-01 -0.147396D+00  0.559188D+00 -0.295895D+01  0.705851D+01
      5  -0.431664D+01  0.322843D+01 -0.276779D+01  0.195984D+00 -0.165965D+01
      6   0.169212D+01 -0.152867D+01  0.265303D+01 -0.319960D+00 -0.526597D+01
               101           102           103           104           105 
      1  -0.886428D+01  0.181993D+01 -0.554902D+01 -0.951659D+01  0.252321D+01
      2   0.134474D+02 -0.365467D+01  0.905106D+01  0.157607D+02 -0.457699D+01
      3  -0.458316D+01  0.183475D+01 -0.350205D+01 -0.624408D+01  0.205378D+01
      4   0.957528D+01 -0.350242D+01  0.936921D+01  0.740029D+01 -0.301522D+01
      5  -0.193089D+01  0.167932D+01 -0.406409D+00 -0.156831D+01  0.135998D+01
      6  -0.547043D+01  0.605485D+01 -0.437985D+01 -0.597301D+01  0.549927D+01
               106           107           108           109           110 
      1   0.272009D+01  0.610244D+01 -0.531372D+01 -0.175705D+01 -0.197219D+01
      2  -0.379149D+01 -0.727631D+01  0.366785D+01  0.132847D+01  0.219941D+01
      3   0.107140D+01  0.117387D+01  0.164587D+01  0.428577D+00 -0.227220D+00
      4  -0.511289D+01 -0.391681D+01  0.432022D+01  0.763728D-01  0.266436D+01
      5   0.191142D+01  0.211166D+01 -0.222183D+01  0.852774D+00  0.822576D+00
      6   0.544930D+01  0.802066D+01 -0.643585D+01  0.123694D+01  0.272139D+01
               111           112           113           114           115 
      1  -0.194919D+01 -0.255363D+00 -0.457895D+01 -0.284372D+01 -0.748058D+00
      2   0.112669D+01  0.455028D+00  0.492452D+01  0.311089D+01 -0.265911D+00
      3   0.822505D+00 -0.199665D+00 -0.345566D+00 -0.267162D+00  0.101397D+01
      4   0.153302D+01  0.332431D+01  0.153704D+01  0.136312D+01  0.359625D+01
      5   0.162078D+01  0.217327D+00  0.479075D+00  0.970509D+00  0.216620D+01
      6   0.351843D+01  0.217287D+01  0.388599D+01  0.701588D+01  0.425857D+01
               116           117           118           119           120 
      1  -0.783659D+01 -0.122415D+02  0.560585D+01  0.601729D+01  0.377349D+01
      2   0.579291D+01 -0.600827D+00 -0.135652D+01 -0.228398D+01 -0.191986D+01
      3   0.204367D+01  0.128423D+02 -0.424934D+01 -0.373331D+01 -0.185363D+01
      4   0.150412D+01  0.250587D+01  0.521644D+01  0.122447D+02  0.280049D+01
      5   0.303139D+00  0.202506D+00  0.350827D+01  0.246657D+01  0.427454D+01
      6   0.100648D+02  0.222070D+02  0.193858D+01  0.474057D+00  0.399795D+00
               121           122           123           124           125 
      1   0.894971D+01  0.247923D+00  0.675447D+00  0.380030D+01 -0.240207D+01
      2  -0.313552D+01  0.804557D+01  0.271546D+01 -0.115725D+01  0.117582D+01
      3  -0.581419D+01 -0.829350D+01 -0.339091D+01 -0.264304D+01  0.122625D+01
      4   0.130124D+02  0.345908D+02  0.159435D+02  0.293879D+01  0.177546D+02
      5   0.546921D+01  0.172910D+02  0.138719D+02  0.499472D+01  0.103218D+02
      6   0.330250D+01  0.798391D+01  0.479485D+01  0.118526D+01  0.745030D+01
               126 
      1  -0.273972D+01
      2  -0.452074D+00
      3   0.319180D+01
      4   0.929919D+01
      5   0.634426D+01
      6   0.538594D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.181461D+01      0.461228D+01      0.153849D+02
   x          0.100808D+01      0.256227D+01      0.854682D+01
   y          0.149224D+01      0.379290D+01      0.126518D+02
   z          0.223182D+00      0.567271D+00      0.189221D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.687261D+02      0.101842D+02      0.113314D+02
   aniso      0.274821D+02      0.407242D+01      0.453118D+01
   xx         0.836423D+02      0.123945D+02      0.137907D+02
   yx         0.123654D+01      0.183236D+00      0.203877D+00
   yy         0.702428D+02      0.104089D+02      0.115815D+02
   zx        -0.154046D+01     -0.228272D+00     -0.253987D+00
   zy         0.660537D+00      0.978815D-01      0.108908D+00
   zz         0.522932D+02      0.774905D+01      0.862198D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.765169D+02      0.113386D+02      0.126159D+02
   aniso      0.269321D+02      0.399092D+01      0.444050D+01
   xx         0.915790D+02      0.135706D+02      0.150993D+02
   yx         0.601519D+00      0.891359D-01      0.991770D-01
   yy         0.773676D+02      0.114647D+02      0.127562D+02
   zx        -0.723666D+00     -0.107236D+00     -0.119316D+00
   zy        -0.700035D+00     -0.103735D+00     -0.115420D+00
   zz         0.606041D+02      0.898060D+01      0.999227D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.25991871         -1.68119661         -0.01166511
    16          3.75386061         -1.93169466          2.34979842
     6         -0.16100742          0.82800686          0.04815165
     7         -1.63703988          1.32242587          2.33468755
     6         -1.87126218          1.07419985         -2.29932857
     8         -1.29194578          0.27619647         -4.34160282
     8         -4.02638801          2.32096490         -1.86530834
     1          1.21823998          2.35625068         -0.12727899
     1         -0.04610662         -3.26450866          0.18416272
     1          2.19409793         -1.88860472         -1.83176589
     1         -4.02541986          2.70193517         -0.04800774
     1         -0.55245697          2.04924791          3.72984930
     1         -2.46405836         -0.27464992          2.99801011
     1          2.25397271         -2.13290585          4.38779632

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.181461D+01      0.461228D+01      0.153849D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.181461D+01      0.461228D+01      0.153849D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.687261D+02      0.101842D+02      0.113314D+02
   aniso      0.274821D+02      0.407242D+01      0.453118D+01
   xx         0.725601D+02      0.107523D+02      0.119635D+02
   yx        -0.109462D+02     -0.162206D+01     -0.180479D+01
   yy         0.584587D+02      0.866268D+01      0.963854D+01
   zx         0.708573D+01      0.105000D+01      0.116828D+01
   zy        -0.986700D+00     -0.146214D+00     -0.162685D+00
   zz         0.751595D+02      0.111375D+02      0.123921D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.765169D+02      0.113386D+02      0.126159D+02
   aniso      0.269321D+02      0.399092D+01      0.444050D+01
   xx         0.795795D+02      0.117925D+02      0.131209D+02
   yx        -0.113892D+02     -0.168770D+01     -0.187782D+01
   yy         0.681622D+02      0.101006D+02      0.112384D+02
   zx         0.760701D+01      0.112724D+01      0.125423D+01
   zy        -0.778533D+00     -0.115367D+00     -0.128363D+00
   zz         0.818090D+02      0.121228D+02      0.134885D+02

 ----------------------------------------------------------------------
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 000009,-0.00000536,-0.00000656,0.00000141,0.00000561,0.00000152,-0.000
 00839,-0.00000142,0.00000751,0.00000386,0.00000295,-0.00001117,-0.0000
 1733,-0.00000244,0.00000584,0.00000766,0.00000082,0.00000091,0.0000006
 6,-0.00000078,-0.00000248,0.00000362,0.00000015,-0.00000370,0.00000141
 ,0.00000139,-0.00000630,0.00000337,0.00000097,-0.00000369,0.00000596,0
 .00000129,-0.00000424,-0.00000106,-0.00000032,-0.00000259,-0.00000220,
 -0.00000176,0.00000284,0.00000096,-0.00000110\\\@


 IBM COMPATIBILITY IS LIKE PREGNANCY. YOU ARE OR
 OR YOU ARE NOT. -- ADAM OSBORNE
 Job cpu time:       0 days  1 hours 11 minutes 20.4 seconds.
 Elapsed time:       0 days  0 hours  8 minutes 57.0 seconds.
 File lengths (MBytes):  RWF=    218 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:14:43 2021.
